1-[4-[(4-chlorophenyl)methylamino]piperidin-1-yl]-2-methoxyethanone

C15H21ClN2O2 — CID 43747533

IUPAC1-[4-[(4-chlorophenyl)methylamino]piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(NCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H21ClN2O2/c1-20-11-15(19)18-8-6-14(7-9-18)17-10-12-2-4-13(16)5-3-12/h2-5,14,17H,6-11H2,1H3
InChIKeyPYJRTAUNILYFOP-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.07
Rot. Bonds5

About 1-[4-[(4-chlorophenyl)methylamino]piperidin-1-yl]-2-methoxyethanone

1-[4-[(4-chlorophenyl)methylamino]piperidin-1-yl]-2-methoxyethanone (PubChem CID 43747533) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 1-[4-[(4-chlorophenyl)methylamino]piperidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-[(4-chlorophenyl)methylamino]piperidin-1-yl]-2-methoxyethanone
PubChem CID43747533
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name1-[4-[(4-chlorophenyl)methylamino]piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(NCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H21ClN2O2/c1-20-11-15(19)18-8-6-14(7-9-18)17-10-12-2-4-13(16)5-3-12/h2-5,14,17H,6-11H2,1H3
InChIKeyPYJRTAUNILYFOP-UHFFFAOYSA-N
XLogP2.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(4-chlorophenyl)methylamino]piperidin-1-yl]-2-methoxyethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-1-[4-[(4-methoxyphenyl)methylamino]piperidin-1-yl]ethanone
CID 43747536
1-[4-[(3-chloro-5-fluorophenyl)methylamino]piperidin-1-yl]-2-methoxyethanone
CID 114452598
1-[4-[(5-ethylthiophen-2-yl)methylamino]piperidin-1-yl]-2-methoxyethanone
CID 62346804
tert-butyl 4-[(4-chlorophenyl)methylamino]azepane-1-carboxylate
CID 103980818
1-[4-[(5-iodofuran-2-yl)methylamino]piperidin-1-yl]-2-methoxyethanone
CID 43791424
2-methoxy-1-[4-[(3-methylthiophen-2-yl)methylamino]piperidin-1-yl]ethanone
CID 43747569
1-[4-[(4-bromo-5-chlorothiophen-2-yl)methylamino]piperidin-1-yl]-2-methoxyethanone
CID 102833978
1-[4-(2,2-dimethylpropylamino)piperidin-1-yl]-2-methoxyethanone
CID 61325359
2-(4-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119563636
N-[[4-(4-chlorophenyl)phenyl]methyl]-1-methylpiperidin-4-amine
CID 23614409
1-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-methoxyethanone
CID 108536476
2-methoxy-1-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]ethanone
CID 43747634

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-chlorophenyl)methylamino]piperidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-[(4-chlorophenyl)methylamino]piperidin-1-yl]-2-methoxyethanone (CID 43747533) is 1-[4-[(4-chlorophenyl)methylamino]piperidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-[(4-chlorophenyl)methylamino]piperidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-[(4-chlorophenyl)methylamino]piperidin-1-yl]-2-methoxyethanone is COCC(=O)N1CCC(NCc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[4-[(4-chlorophenyl)methylamino]piperidin-1-yl]-2-methoxyethanone?
The InChIKey is PYJRTAUNILYFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-20-11-15(19)18-8-6-14(7-9-18)17-10-12-2-4-13(16)5-3-12/h2-5,14,17H,6-11H2,1H3.
What are the key properties of 1-[4-[(4-chlorophenyl)methylamino]piperidin-1-yl]-2-methoxyethanone?
1-[4-[(4-chlorophenyl)methylamino]piperidin-1-yl]-2-methoxyethanone has a molecular weight of 296.80 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-chlorophenyl)methylamino]piperidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 43747533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).