N-(1-benzylpiperidin-3-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine

C22H31N3 — CID 113222340

IUPACN-(1-benzylpiperidin-3-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
SMILESCN(C)CC(NC1CCCN(Cc2ccccc2)C1)c1ccccc1
InChIInChI=1S/C22H31N3/c1-24(2)18-22(20-12-7-4-8-13-20)23-21-14-9-15-25(17-21)16-19-10-5-3-6-11-19/h3-8,10-13,21-23H,9,14-18H2,1-2H3
InChIKeyQNBAXRQJSXMJOG-UHFFFAOYSA-N
MW337.51 g/mol
LogP3.54
Rot. Bonds7

About N-(1-benzylpiperidin-3-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine

N-(1-benzylpiperidin-3-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine (PubChem CID 113222340) has the molecular formula C22H31N3 and a molecular weight of 337.51 g/mol. Its IUPAC name is N-(1-benzylpiperidin-3-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-3-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
PubChem CID113222340
Molecular FormulaC22H31N3
Molecular Weight337.51 g/mol
Exact Mass337.25
IUPAC NameN-(1-benzylpiperidin-3-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
SMILESCN(C)CC(NC1CCCN(Cc2ccccc2)C1)c1ccccc1
InChIInChI=1S/C22H31N3/c1-24(2)18-22(20-12-7-4-8-13-20)23-21-14-9-15-25(17-21)16-19-10-5-3-6-11-19/h3-8,10-13,21-23H,9,14-18H2,1-2H3
InChIKeyQNBAXRQJSXMJOG-UHFFFAOYSA-N
XLogP3.54
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-benzylpiperidin-3-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine 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

1-benzyl-N-(3-methyl-1-phenylbutyl)piperidin-3-amine
CID 113223834
1-[(1-benzylpiperidin-3-yl)amino]-3-(dimethylamino)propan-2-ol
CID 64593174
1-benzyl-N-butan-2-ylpiperidin-3-amine
CID 43145137
(2R)-2-[[(3S)-1-benzylpiperidin-3-yl]amino]propan-1-ol
CID 51697425
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
1-benzyl-N-(4,4,4-trifluorobutan-2-yl)piperidin-3-amine
CID 103777389
4-N-(1-benzylpiperidin-3-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 113222336
3-[(1-benzylpiperidin-3-yl)amino]-2-methylbutanoic acid
CID 79396709
N',N'-dimethyl-N-(3-methylcyclohexyl)-1-phenylethane-1,2-diamine
CID 43079693
2-[(1-benzylpiperidin-3-yl)amino]-N-methylpropanamide
CID 61464041
N',N'-dimethyl-1-phenyl-N-pyrrolidin-3-ylethane-1,2-diamine
CID 79724005
1-benzyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidin-3-amine
CID 61471775

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-3-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine?
The IUPAC name of N-(1-benzylpiperidin-3-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine (CID 113222340) is N-(1-benzylpiperidin-3-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine.
What is the SMILES notation for N-(1-benzylpiperidin-3-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine?
The canonical SMILES for N-(1-benzylpiperidin-3-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine is CN(C)CC(NC1CCCN(Cc2ccccc2)C1)c1ccccc1.
What is the InChIKey of N-(1-benzylpiperidin-3-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine?
The InChIKey is QNBAXRQJSXMJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3/c1-24(2)18-22(20-12-7-4-8-13-20)23-21-14-9-15-25(17-21)16-19-10-5-3-6-11-19/h3-8,10-13,21-23H,9,14-18H2,1-2H3.
What are the key properties of N-(1-benzylpiperidin-3-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine?
N-(1-benzylpiperidin-3-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine has a molecular weight of 337.51 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-3-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine is sourced from PubChem (CID 113222340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).