N',N'-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)ethane-1,2-diamine

C16H27N3 — CID 80553252

IUPACN',N'-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)ethane-1,2-diamine
SMILESCN(C)CC(NCC1CCCNC1)c1ccccc1
InChIInChI=1S/C16H27N3/c1-19(2)13-16(15-8-4-3-5-9-15)18-12-14-7-6-10-17-11-14/h3-5,8-9,14,16-18H,6-7,10-13H2,1-2H3
InChIKeyFSKXSIKMPTYCJM-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.88
Rot. Bonds6

About N',N'-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)ethane-1,2-diamine

N',N'-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)ethane-1,2-diamine (PubChem CID 80553252) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N',N'-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)ethane-1,2-diamine
PubChem CID80553252
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN',N'-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)ethane-1,2-diamine
SMILESCN(C)CC(NCC1CCCNC1)c1ccccc1
InChIInChI=1S/C16H27N3/c1-19(2)13-16(15-8-4-3-5-9-15)18-12-14-7-6-10-17-11-14/h3-5,8-9,14,16-18H,6-7,10-13H2,1-2H3
InChIKeyFSKXSIKMPTYCJM-UHFFFAOYSA-N
XLogP1.88
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N',N'-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)ethane-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

N',N'-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]-1-phenylethane-1,2-diamine
CID 62656324
1-N,1-N-dimethyl-2-N-(piperidin-3-ylmethyl)propane-1,2-diamine
CID 82938373
methyl 2-phenyl-2-(piperidin-3-ylmethylamino)acetate
CID 80555688
N',N'-dimethyl-1-phenyl-N-pyrrolidin-3-ylethane-1,2-diamine
CID 79724005
N-methyl-2-phenyl-N-(piperidin-3-ylmethyl)propan-1-amine;hydrochloride
CID 119931376
1-(2-methoxyphenyl)-N-(piperidin-3-ylmethyl)propan-1-amine
CID 80554157
(1R)-1-(4-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 81349439
N-(1-phenylpropyl)-2-piperidin-3-ylacetamide
CID 62689711
N-[3-oxo-1-phenyl-3-(piperidin-3-ylmethylamino)propyl]benzamide
CID 119461783
3-phenyl-N-(piperidin-3-ylmethyl)pentanamide
CID 119464003
N-(piperidin-3-ylmethyl)-1-thiophen-2-ylethanamine;hydrochloride
CID 71637837
N,N-dimethyl-1-[2-(piperidin-3-ylmethyl)phenyl]methanamine
CID 84795677

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)ethane-1,2-diamine (CID 80553252) is N',N'-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)ethane-1,2-diamine is CN(C)CC(NCC1CCCNC1)c1ccccc1.
What is the InChIKey of N',N'-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)ethane-1,2-diamine?
The InChIKey is FSKXSIKMPTYCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-19(2)13-16(15-8-4-3-5-9-15)18-12-14-7-6-10-17-11-14/h3-5,8-9,14,16-18H,6-7,10-13H2,1-2H3.
What are the key properties of N',N'-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)ethane-1,2-diamine?
N',N'-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)ethane-1,2-diamine has a molecular weight of 261.41 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 80553252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).