1-(2-aminoethyl)-N-benzyl-N-ethylpiperidin-4-amine

C16H27N3 — CID 71301853

IUPAC1-(2-aminoethyl)-N-benzyl-N-ethylpiperidin-4-amine
SMILESCCN(Cc1ccccc1)C1CCN(CCN)CC1
InChIInChI=1S/C16H27N3/c1-2-19(14-15-6-4-3-5-7-15)16-8-11-18(12-9-16)13-10-17/h3-7,16H,2,8-14,17H2,1H3
InChIKeyPFXCOWVWHAWHDU-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.93
Rot. Bonds6

About 1-(2-aminoethyl)-N-benzyl-N-ethylpiperidin-4-amine

1-(2-aminoethyl)-N-benzyl-N-ethylpiperidin-4-amine (PubChem CID 71301853) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-benzyl-N-ethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-benzyl-N-ethylpiperidin-4-amine
PubChem CID71301853
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-(2-aminoethyl)-N-benzyl-N-ethylpiperidin-4-amine
SMILESCCN(Cc1ccccc1)C1CCN(CCN)CC1
InChIInChI=1S/C16H27N3/c1-2-19(14-15-6-4-3-5-7-15)16-8-11-18(12-9-16)13-10-17/h3-7,16H,2,8-14,17H2,1H3
InChIKeyPFXCOWVWHAWHDU-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

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Related Compounds

(3S)-1-(2-aminoethyl)-N-benzyl-N-ethylpyrrolidin-3-amine
CID 66567005
N-benzyl-N-ethyl-1-propan-2-ylpiperidin-4-amine
CID 59151326
N-benzyl-N-ethyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 1329756
2-[3-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanamine
CID 66567008
N-benzyl-1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-ethylpiperidin-4-amine;hydrochloride
CID 163326605
2-[(3S)-3-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanamine
CID 96554158
N-[[(2R)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-benzylcyclopropanamine
CID 96554182
2-amino-N-[4-[benzyl(ethyl)amino]cyclohexyl]acetamide
CID 66567128
N'-benzyl-N'-(1-methylpyrrolidin-3-yl)propane-1,3-diamine
CID 107365088
(3S)-N-benzyl-N-ethylpyrrolidin-3-amine
CID 66569411
N-benzyl-N-ethylpyrrolidin-3-amine
CID 53410837
N-benzyl-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231293

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-benzyl-N-ethylpiperidin-4-amine?
The IUPAC name of 1-(2-aminoethyl)-N-benzyl-N-ethylpiperidin-4-amine (CID 71301853) is 1-(2-aminoethyl)-N-benzyl-N-ethylpiperidin-4-amine.
What is the SMILES notation for 1-(2-aminoethyl)-N-benzyl-N-ethylpiperidin-4-amine?
The canonical SMILES for 1-(2-aminoethyl)-N-benzyl-N-ethylpiperidin-4-amine is CCN(Cc1ccccc1)C1CCN(CCN)CC1.
What is the InChIKey of 1-(2-aminoethyl)-N-benzyl-N-ethylpiperidin-4-amine?
The InChIKey is PFXCOWVWHAWHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-2-19(14-15-6-4-3-5-7-15)16-8-11-18(12-9-16)13-10-17/h3-7,16H,2,8-14,17H2,1H3.
What are the key properties of 1-(2-aminoethyl)-N-benzyl-N-ethylpiperidin-4-amine?
1-(2-aminoethyl)-N-benzyl-N-ethylpiperidin-4-amine 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 1-(2-aminoethyl)-N-benzyl-N-ethylpiperidin-4-amine is sourced from PubChem (CID 71301853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).