trans-Methyl-[4-(4-piperidin-1-yl-butoxymethyl)-cyclohexylmethyl]-carbamic acid 4-chloro-phenyl ester
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Basic information
- Standard SMILES
CN(CC1CCC(COCCCCN2CCCCC2)CC1)C(=O)Oc1ccc(Cl)cc1- InChIKey
GFUQJQRDHFOYCR-UHFFFAOYSA-N- Molecular formula
- C25H39ClN2O3
- Average molar mass
- 451 g/mol
- Monoisotopic mass
- 450.2649208
Names & identifiers
- Preferred name
- trans-Methyl-[4-(4-piperidin-1-yl-butoxymethyl)-cyclohexylmethyl]-carbamic acid 4-chloro-phenyl ester
- IUPAC
- (4-chlorophenyl) N-methyl-N-[[4-(4-piperidin-1-ylbutoxymethyl)cyclohexyl]methyl]carbamate
Names & synonyms
SCHEMBL6018682SCHEMBL6018685GFUQJQRDHFOYCR-HZCBDIJESA-Ntrans-methyl-[4-(4-piperidin-1-yl-butoxymethyl)-cyclohexylmethyl]-carbamic acid 4-chloro-phenyl ester
Database identifiers
- PubChem CID
- 69638352
Properties
Computed structural propertiesFilling in
- XLogP
- 5.5
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 499
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Related reactions
1 records
Compound notes
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