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

C12H23N3 — CID 103353322

IUPAC2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butanenitrile
SMILESCCC1CCN(C(C#N)CC)C(CN)C1
InChIInChI=1S/C12H23N3/c1-3-10-5-6-15(11(4-2)8-13)12(7-10)9-14/h10-12H,3-7,9,14H2,1-2H3
InChIKeyMYOXTAFFRRECDK-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.74
Rot. Bonds4

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

2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butanenitrile (PubChem CID 103353322) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butanenitrile.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butanenitrile
PubChem CID103353322
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butanenitrile
SMILESCCC1CCN(C(C#N)CC)C(CN)C1
InChIInChI=1S/C12H23N3/c1-3-10-5-6-15(11(4-2)8-13)12(7-10)9-14/h10-12H,3-7,9,14H2,1-2H3
InChIKeyMYOXTAFFRRECDK-UHFFFAOYSA-N
XLogP1.74
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)pyrrolidin-1-yl]butanenitrile
CID 115312740
(1-but-3-yn-2-yl-4-ethylpiperidin-2-yl)methanamine
CID 103353273
2-(4-amino-2-methylpiperidin-1-yl)butanenitrile
CID 115313000
[4-ethyl-1-[1-(4-methylphenyl)propyl]piperidin-2-yl]methanamine
CID 103351805
4-[1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]propyl]phenol
CID 103351995
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N,N-diethylpropanamide
CID 103352994
[1-[1-(4-chlorophenyl)ethyl]-4-ethylpiperidin-2-yl]methanamine
CID 103351643
[4-ethyl-1-(1-phenylbutyl)piperidin-2-yl]methanamine
CID 103351865
2-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]butanenitrile
CID 63848896
3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]propane-1,2-diol
CID 103353189
[1-[1-(3-chlorophenyl)propyl]-4-ethylpiperidin-2-yl]methanamine
CID 103351682
[1-[1-(5-bromothiophen-2-yl)ethyl]-4-ethylpiperidin-2-yl]methanamine
CID 103352002

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butanenitrile?
The IUPAC name of 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butanenitrile (CID 103353322) is 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butanenitrile.
What is the SMILES notation for 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butanenitrile?
The canonical SMILES for 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butanenitrile is CCC1CCN(C(C#N)CC)C(CN)C1.
What is the InChIKey of 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butanenitrile?
The InChIKey is MYOXTAFFRRECDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-3-10-5-6-15(11(4-2)8-13)12(7-10)9-14/h10-12H,3-7,9,14H2,1-2H3.
What are the key properties of 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butanenitrile?
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butanenitrile has a molecular weight of 209.34 g/mol, XLogP of 1.74, 4 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]butanenitrile is sourced from PubChem (CID 103353322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).