2-(3-((Benzyl(isopropyl)amino)methyl)piperidin-1-yl)acetic acid

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Basic information

CAS: 1353976-27-8
Standard SMILES: CC(C)N(Cc1ccccc1)CC1CCCN(CC(=O)O)C1
InChIKey: VMXFQPYEOVOYAS-UHFFFAOYSA-N
Molecular formula: C18H28N2O2
Average molar mass: 304.4 g/mol
Monoisotopic mass: 304.21507814

Names & identifiers

Preferred name: 2-(3-((Benzyl(isopropyl)amino)methyl)piperidin-1-yl)acetic acid
IUPAC: 2-[3-[[benzyl(propan-2-yl)amino]methyl]piperidin-1-yl]acetic acid

Names & synonyms

1353976-27-82-(3-((Benzyl(isopropyl)amino)methyl)piperidin-1-yl)acetic acid{3-[(Benzyl-isopropyl-amino)-methyl]-piperidin-1-yl}-acetic acid2-[3-[[benzyl(propan-2-yl)amino]methyl]piperidin-1-yl]acetic acidDTXSID901149373DB-2496192-(3-((Benzyl(isopropyl)amino)methyl)piperidin-1-yl)aceticacid2-[3-[[benzyl(isopropyl)amino]methyl]-1-piperidyl]acetic acid(3-{[Benzyl(propan-2-yl)amino]methyl}piperidin-1-yl)acetic acid1-Piperidineacetic acid, 3-[[(1-methylethyl)(phenylmethyl)amino]methyl]-

Database identifiers

CAS: 1353976-27-8
PubChem CID: 66567289
DTXSID: DTXSID901149373

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 43.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 22
Formal charge: 0
Complexity: 340

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Compound notes

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