2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-4-chlorobenzonitrile

C15H20ClN3 — CID 103353808

IUPAC2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-4-chlorobenzonitrile
SMILESCCC1CCN(c2cc(Cl)ccc2C#N)C(CN)C1
InChIInChI=1S/C15H20ClN3/c1-2-11-5-6-19(14(7-11)10-18)15-8-13(16)4-3-12(15)9-17/h3-4,8,11,14H,2,5-7,10,18H2,1H3
InChIKeyWGPYIDDBTQGGPT-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.17
Rot. Bonds3

About 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-4-chlorobenzonitrile

2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-4-chlorobenzonitrile (PubChem CID 103353808) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-4-chlorobenzonitrile.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-4-chlorobenzonitrile
PubChem CID103353808
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-4-chlorobenzonitrile
SMILESCCC1CCN(c2cc(Cl)ccc2C#N)C(CN)C1
InChIInChI=1S/C15H20ClN3/c1-2-11-5-6-19(14(7-11)10-18)15-8-13(16)4-3-12(15)9-17/h3-4,8,11,14H,2,5-7,10,18H2,1H3
InChIKeyWGPYIDDBTQGGPT-UHFFFAOYSA-N
XLogP3.17
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-cyanophenyl)-4-ethylpiperidine-2-carboxylic acid
CID 114427574
4-chloro-2-(2-ethylpyrrolidin-1-yl)benzonitrile
CID 63093407
5-chloro-2-(4-ethylpiperidin-1-yl)benzonitrile
CID 55078571
[1-[1-(4-chlorophenyl)ethyl]-4-ethylpiperidin-2-yl]methanamine
CID 103351643
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-5-nitropyridine-3-carbonitrile
CID 103353691
4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-chlorobenzonitrile
CID 103442451
[4-ethyl-1-(5-methyl-2-nitrophenyl)piperidin-2-yl]methanamine
CID 103353489
[4-ethyl-1-[2-(trifluoromethyl)phenyl]piperidin-2-yl]methanamine
CID 103353554
[1-(5-bromo-2-nitrophenyl)-4-ethylpiperidin-2-yl]methanamine
CID 103353763
[1-(2,5-dichlorophenyl)sulfonyl-4-ethylpiperidin-2-yl]methanamine
CID 103352807
ethyl 1-(5-chloro-2-cyanophenyl)piperidine-2-carboxylate
CID 63093053
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]benzamide
CID 103353540

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-4-chlorobenzonitrile?
The IUPAC name of 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-4-chlorobenzonitrile (CID 103353808) is 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-4-chlorobenzonitrile.
What is the SMILES notation for 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-4-chlorobenzonitrile?
The canonical SMILES for 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-4-chlorobenzonitrile is CCC1CCN(c2cc(Cl)ccc2C#N)C(CN)C1.
What is the InChIKey of 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-4-chlorobenzonitrile?
The InChIKey is WGPYIDDBTQGGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-2-11-5-6-19(14(7-11)10-18)15-8-13(16)4-3-12(15)9-17/h3-4,8,11,14H,2,5-7,10,18H2,1H3.
What are the key properties of 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-4-chlorobenzonitrile?
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-4-chlorobenzonitrile has a molecular weight of 277.80 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-4-chlorobenzonitrile is sourced from PubChem (CID 103353808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).