Basic information
- CAS
74045-86-6- Standard SMILES
O=NN(CCCl)C(=O)NC1CCN(Cc2ccccc2)CC1- InChIKey
GVOFEKQVHKRRRQ-UHFFFAOYSA-N- Molecular formula
- C15H21ClN4O2
- Average molar mass
- 324.8 g/mol
- Monoisotopic mass
- 324.1353036
Names & identifiers
- Preferred name
- Urea, N-(2-chloroethyl)-N-nitroso-N'-(1-(phenylmethyl)-4-piperidinyl)-
- IUPAC
- 3-(1-benzylpiperidin-4-yl)-1-(2-chloroethyl)-1-nitrosourea
Names & synonyms
74045-86-6Urea, N-(2-chloroethyl)-N-nitroso-N'-(1-(phenylmethyl)-4-piperidinyl)-Urea, N-(2-chloroethyl)-N-nitroso-N'-[1-(phenylmethyl)-4-piperidinyl]-NSC268927CHEMBL1200189DTXSID80313327NSC-268927N'-(1-Benzylpiperidin-4-yl)-N-(2-chloroethyl)-N-nitrosourea
Database identifiers
- CAS
74045-86-6- PubChem CID
- 320655
- DTXSID
DTXSID80313327- ChEMBL
CHEMBL1200189
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 355
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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