3-[1-(3-aminopiperidin-1-yl)ethyl]benzonitrile

C14H19N3 — CID 63991329

IUPAC3-[1-(3-aminopiperidin-1-yl)ethyl]benzonitrile
SMILESCC(c1cccc(C#N)c1)N1CCCC(N)C1
InChIInChI=1S/C14H19N3/c1-11(17-7-3-6-14(16)10-17)13-5-2-4-12(8-13)9-15/h2,4-5,8,11,14H,3,6-7,10,16H2,1H3
InChIKeyQRDCFOCYQXZKMR-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.04
Rot. Bonds2

About 3-[1-(3-aminopiperidin-1-yl)ethyl]benzonitrile

3-[1-(3-aminopiperidin-1-yl)ethyl]benzonitrile (PubChem CID 63991329) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 3-[1-(3-aminopiperidin-1-yl)ethyl]benzonitrile.

Molecular Properties

Compound Name3-[1-(3-aminopiperidin-1-yl)ethyl]benzonitrile
PubChem CID63991329
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name3-[1-(3-aminopiperidin-1-yl)ethyl]benzonitrile
SMILESCC(c1cccc(C#N)c1)N1CCCC(N)C1
InChIInChI=1S/C14H19N3/c1-11(17-7-3-6-14(16)10-17)13-5-2-4-12(8-13)9-15/h2,4-5,8,11,14H,3,6-7,10,16H2,1H3
InChIKeyQRDCFOCYQXZKMR-UHFFFAOYSA-N
XLogP2.04
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 63990737
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(3R)-1-[1-(3-chlorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride
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(3S)-1-benzhydrylpiperidin-3-amine
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3-[1-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]ethyl]benzonitrile
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3-[1-(3-methylpiperidin-1-yl)ethyl]aniline
CID 61262194
2-[1-[1-(3-cyanophenyl)ethyl]pyrrolidin-2-yl]acetic acid
CID 65067951
2-[1-[1-(3-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728173
2-[1-[1-(3-nitrophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride
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3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]benzonitrile
CID 43775849

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-aminopiperidin-1-yl)ethyl]benzonitrile?
The IUPAC name of 3-[1-(3-aminopiperidin-1-yl)ethyl]benzonitrile (CID 63991329) is 3-[1-(3-aminopiperidin-1-yl)ethyl]benzonitrile.
What is the SMILES notation for 3-[1-(3-aminopiperidin-1-yl)ethyl]benzonitrile?
The canonical SMILES for 3-[1-(3-aminopiperidin-1-yl)ethyl]benzonitrile is CC(c1cccc(C#N)c1)N1CCCC(N)C1.
What is the InChIKey of 3-[1-(3-aminopiperidin-1-yl)ethyl]benzonitrile?
The InChIKey is QRDCFOCYQXZKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-11(17-7-3-6-14(16)10-17)13-5-2-4-12(8-13)9-15/h2,4-5,8,11,14H,3,6-7,10,16H2,1H3.
What are the key properties of 3-[1-(3-aminopiperidin-1-yl)ethyl]benzonitrile?
3-[1-(3-aminopiperidin-1-yl)ethyl]benzonitrile has a molecular weight of 229.33 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-aminopiperidin-1-yl)ethyl]benzonitrile is sourced from PubChem (CID 63991329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).