(3S,4S)-N-[(2-chlorophenyl)methyl]-1-ethyl-N,3-dimethylpiperidin-4-amine

C16H25ClN2 — CID 100839078

IUPAC(3S,4S)-N-[(2-chlorophenyl)methyl]-1-ethyl-N,3-dimethylpiperidin-4-amine
SMILESCCN1CC[C@H](N(C)Cc2ccccc2Cl)[C@@H](C)C1
InChIInChI=1S/C16H25ClN2/c1-4-19-10-9-16(13(2)11-19)18(3)12-14-7-5-6-8-15(14)17/h5-8,13,16H,4,9-12H2,1-3H3/t13-,16-/m0/s1
InChIKeyNFWGKGMZTXRFBL-BBRMVZONSA-N
MW280.84 g/mol
LogP3.50
Rot. Bonds4

About (3S,4S)-N-[(2-chlorophenyl)methyl]-1-ethyl-N,3-dimethylpiperidin-4-amine

(3S,4S)-N-[(2-chlorophenyl)methyl]-1-ethyl-N,3-dimethylpiperidin-4-amine (PubChem CID 100839078) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is (3S,4S)-N-[(2-chlorophenyl)methyl]-1-ethyl-N,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name(3S,4S)-N-[(2-chlorophenyl)methyl]-1-ethyl-N,3-dimethylpiperidin-4-amine
PubChem CID100839078
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name(3S,4S)-N-[(2-chlorophenyl)methyl]-1-ethyl-N,3-dimethylpiperidin-4-amine
SMILESCCN1CC[C@H](N(C)Cc2ccccc2Cl)[C@@H](C)C1
InChIInChI=1S/C16H25ClN2/c1-4-19-10-9-16(13(2)11-19)18(3)12-14-7-5-6-8-15(14)17/h5-8,13,16H,4,9-12H2,1-3H3/t13-,16-/m0/s1
InChIKeyNFWGKGMZTXRFBL-BBRMVZONSA-N
XLogP3.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3S,4S)-N-[(2-chlorophenyl)methyl]-1-ethyl-N,3-dimethylpiperidin-4-amine 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

(3R,4S)-N-[(2-chloro-7-methylsulfanylquinolin-3-yl)methyl]-1-ethyl-N,3-dimethylpiperidin-4-amine
CID 96522113
1-benzyl-N,N,3-trimethylpiperidin-4-amine
CID 71634856
3-[(1-ethyl-3-methylpiperidin-4-yl)-methylamino]propan-1-ol
CID 111543942
1-N,3-N-bis(1-ethyl-3-methylpiperidin-4-yl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 166198840
N-[2-chloro-6-(chloromethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine
CID 114067765
(3R,4S)-1-benzyl-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)piperidin-4-amine
CID 96560100
3-N-benzyl-1-ethyl-3-N-methylpiperidine-3,4-diamine
CID 82171492
methyl 4-[[(1-ethyl-3-methylpiperidin-4-yl)-methylamino]methyl]-1H-pyrrole-2-carboxylate
CID 84594294
methyl 5-[[[(3S,4R)-1-ethyl-3-methylpiperidin-4-yl]-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 100904757
(3R)-3-amino-N-[(3S,4S)-1-ethyl-3-methylpiperidin-4-yl]-N-methyl-3-phenylpropanamide
CID 124683430
1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
(3R,4R)-1-(benzenesulfonyl)-4-[(2-chlorophenyl)methyl-methylamino]pyrrolidin-3-ol
CID 133128363

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N-[(2-chlorophenyl)methyl]-1-ethyl-N,3-dimethylpiperidin-4-amine?
The IUPAC name of (3S,4S)-N-[(2-chlorophenyl)methyl]-1-ethyl-N,3-dimethylpiperidin-4-amine (CID 100839078) is (3S,4S)-N-[(2-chlorophenyl)methyl]-1-ethyl-N,3-dimethylpiperidin-4-amine.
What is the SMILES notation for (3S,4S)-N-[(2-chlorophenyl)methyl]-1-ethyl-N,3-dimethylpiperidin-4-amine?
The canonical SMILES for (3S,4S)-N-[(2-chlorophenyl)methyl]-1-ethyl-N,3-dimethylpiperidin-4-amine is CCN1CC[C@H](N(C)Cc2ccccc2Cl)[C@@H](C)C1.
What is the InChIKey of (3S,4S)-N-[(2-chlorophenyl)methyl]-1-ethyl-N,3-dimethylpiperidin-4-amine?
The InChIKey is NFWGKGMZTXRFBL-BBRMVZONSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-4-19-10-9-16(13(2)11-19)18(3)12-14-7-5-6-8-15(14)17/h5-8,13,16H,4,9-12H2,1-3H3/t13-,16-/m0/s1.
What are the key properties of (3S,4S)-N-[(2-chlorophenyl)methyl]-1-ethyl-N,3-dimethylpiperidin-4-amine?
(3S,4S)-N-[(2-chlorophenyl)methyl]-1-ethyl-N,3-dimethylpiperidin-4-amine has a molecular weight of 280.84 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-[(2-chlorophenyl)methyl]-1-ethyl-N,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 100839078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).