3-[1-(4-aminopiperidin-1-yl)ethyl]benzonitrile

C14H19N3 — CID 63990737

IUPAC3-[1-(4-aminopiperidin-1-yl)ethyl]benzonitrile
SMILESCC(c1cccc(C#N)c1)N1CCC(N)CC1
InChIInChI=1S/C14H19N3/c1-11(17-7-5-14(16)6-8-17)13-4-2-3-12(9-13)10-15/h2-4,9,11,14H,5-8,16H2,1H3
InChIKeyOKVWVTOLOFTEFJ-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.04
Rot. Bonds2

About 3-[1-(4-aminopiperidin-1-yl)ethyl]benzonitrile

3-[1-(4-aminopiperidin-1-yl)ethyl]benzonitrile (PubChem CID 63990737) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 3-[1-(4-aminopiperidin-1-yl)ethyl]benzonitrile.

Molecular Properties

Compound Name3-[1-(4-aminopiperidin-1-yl)ethyl]benzonitrile
PubChem CID63990737
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name3-[1-(4-aminopiperidin-1-yl)ethyl]benzonitrile
SMILESCC(c1cccc(C#N)c1)N1CCC(N)CC1
InChIInChI=1S/C14H19N3/c1-11(17-7-5-14(16)6-8-17)13-4-2-3-12(9-13)10-15/h2-4,9,11,14H,5-8,16H2,1H3
InChIKeyOKVWVTOLOFTEFJ-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

3-[1-(3-aminopiperidin-1-yl)ethyl]benzonitrile
CID 63991329
1-(1-phenylethyl)piperidin-4-amine
CID 12641844
3-[1-(3,5-dimethylpiperazin-1-yl)ethyl]benzonitrile
CID 63991730
3-[1-(3-aminopyrrolidin-1-yl)ethyl]phenol
CID 62068559
3-[(1R)-1-[4-(2-hydroxy-2-methylpropanoyl)piperazin-1-yl]ethyl]benzonitrile
CID 124740540
(3R)-1-[1-(3-chlorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119905419
1-(1-naphthalen-2-ylethyl)piperidin-4-amine;hydrochloride
CID 119907327
3-[1-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]ethyl]benzonitrile
CID 61207369
3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]benzonitrile
CID 43775849
3-[(1R)-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethyl]benzonitrile
CID 99824229
4-[1-[4-(1-aminoethyl)piperidin-1-yl]ethyl]benzonitrile
CID 63596877
1-[1-(4-chlorophenyl)ethyl]piperidin-4-amine
CID 43130879

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-aminopiperidin-1-yl)ethyl]benzonitrile?
The IUPAC name of 3-[1-(4-aminopiperidin-1-yl)ethyl]benzonitrile (CID 63990737) is 3-[1-(4-aminopiperidin-1-yl)ethyl]benzonitrile.
What is the SMILES notation for 3-[1-(4-aminopiperidin-1-yl)ethyl]benzonitrile?
The canonical SMILES for 3-[1-(4-aminopiperidin-1-yl)ethyl]benzonitrile is CC(c1cccc(C#N)c1)N1CCC(N)CC1.
What is the InChIKey of 3-[1-(4-aminopiperidin-1-yl)ethyl]benzonitrile?
The InChIKey is OKVWVTOLOFTEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-11(17-7-5-14(16)6-8-17)13-4-2-3-12(9-13)10-15/h2-4,9,11,14H,5-8,16H2,1H3.
What are the key properties of 3-[1-(4-aminopiperidin-1-yl)ethyl]benzonitrile?
3-[1-(4-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-(4-aminopiperidin-1-yl)ethyl]benzonitrile is sourced from PubChem (CID 63990737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).