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

C16H27N3 — CID 66565091

IUPACN'-(1-benzylpiperidin-3-yl)-N'-ethylethane-1,2-diamine
SMILESCCN(CCN)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C16H27N3/c1-2-19(12-10-17)16-9-6-11-18(14-16)13-15-7-4-3-5-8-15/h3-5,7-8,16H,2,6,9-14,17H2,1H3
InChIKeyPRGIEYMFWYMHHB-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.93
Rot. Bonds6

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

N'-(1-benzylpiperidin-3-yl)-N'-ethylethane-1,2-diamine (PubChem CID 66565091) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N'-(1-benzylpiperidin-3-yl)-N'-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1-benzylpiperidin-3-yl)-N'-ethylethane-1,2-diamine
PubChem CID66565091
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN'-(1-benzylpiperidin-3-yl)-N'-ethylethane-1,2-diamine
SMILESCCN(CCN)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C16H27N3/c1-2-19(12-10-17)16-9-6-11-18(14-16)13-15-7-4-3-5-8-15/h3-5,7-8,16H,2,6,9-14,17H2,1H3
InChIKeyPRGIEYMFWYMHHB-UHFFFAOYSA-N
XLogP1.93
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N'-(1-benzylpiperidin-3-yl)-N'-ethylethane-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

2-[(1-benzylpiperidin-3-yl)-ethylamino]ethanol
CID 66565042
N'-[(3S)-1-benzylpiperidin-3-yl]-N'-propan-2-ylethane-1,2-diamine
CID 66565104
2-amino-N-[(3S)-1-benzylpiperidin-3-yl]-N-ethylacetamide
CID 66565211
3-amino-N-(1-benzylpiperidin-3-yl)-N-propylpropanamide
CID 119857622
2-[(1-benzylpiperidin-3-yl)-cyclopropylamino]ethanol
CID 66565068
1-[[4-(aminomethyl)phenyl]methyl]-N,N-diethylpyrrolidin-3-amine
CID 63166878
2-amino-N-[(3S)-1-benzylpiperidin-3-yl]-N-cyclopropylacetamide
CID 66565237
N'-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N'-cyclopropylethane-1,2-diamine
CID 96552859
(3S)-1-(2-aminoethyl)-N-benzyl-N-ethylpyrrolidin-3-amine
CID 66567005
N-(azetidin-3-yl)-1-benzyl-N-methylpiperidin-3-amine
CID 66187288
2-[(3S)-3-[benzyl(ethyl)amino]piperidin-1-yl]acetic acid
CID 66567272
1-benzyl-3-methylpiperidine
CID 2794856

Frequently Asked Questions

What is the IUPAC name of N'-(1-benzylpiperidin-3-yl)-N'-ethylethane-1,2-diamine?
The IUPAC name of N'-(1-benzylpiperidin-3-yl)-N'-ethylethane-1,2-diamine (CID 66565091) is N'-(1-benzylpiperidin-3-yl)-N'-ethylethane-1,2-diamine.
What is the SMILES notation for N'-(1-benzylpiperidin-3-yl)-N'-ethylethane-1,2-diamine?
The canonical SMILES for N'-(1-benzylpiperidin-3-yl)-N'-ethylethane-1,2-diamine is CCN(CCN)C1CCCN(Cc2ccccc2)C1.
What is the InChIKey of N'-(1-benzylpiperidin-3-yl)-N'-ethylethane-1,2-diamine?
The InChIKey is PRGIEYMFWYMHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-2-19(12-10-17)16-9-6-11-18(14-16)13-15-7-4-3-5-8-15/h3-5,7-8,16H,2,6,9-14,17H2,1H3.
What are the key properties of N'-(1-benzylpiperidin-3-yl)-N'-ethylethane-1,2-diamine?
N'-(1-benzylpiperidin-3-yl)-N'-ethylethane-1,2-diamine has a molecular weight of 261.41 g/mol, XLogP of 1.93, 6 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'-ethylethane-1,2-diamine is sourced from PubChem (CID 66565091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).