3-[4-(4-aminophenyl)piperidin-1-yl]propanenitrile

C14H19N3 — CID 89306197

IUPAC3-[4-(4-aminophenyl)piperidin-1-yl]propanenitrile
SMILESN#CCCN1CCC(c2ccc(N)cc2)CC1
InChIInChI=1S/C14H19N3/c15-8-1-9-17-10-6-13(7-11-17)12-2-4-14(16)5-3-12/h2-5,13H,1,6-7,9-11,16H2
InChIKeyHFFQNMNQQWKIGT-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.36
Rot. Bonds3

About 3-[4-(4-aminophenyl)piperidin-1-yl]propanenitrile

3-[4-(4-aminophenyl)piperidin-1-yl]propanenitrile (PubChem CID 89306197) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 3-[4-(4-aminophenyl)piperidin-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[4-(4-aminophenyl)piperidin-1-yl]propanenitrile
PubChem CID89306197
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name3-[4-(4-aminophenyl)piperidin-1-yl]propanenitrile
SMILESN#CCCN1CCC(c2ccc(N)cc2)CC1
InChIInChI=1S/C14H19N3/c15-8-1-9-17-10-6-13(7-11-17)12-2-4-14(16)5-3-12/h2-5,13H,1,6-7,9-11,16H2
InChIKeyHFFQNMNQQWKIGT-UHFFFAOYSA-N
XLogP2.36
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-aminophenyl)piperidin-1-yl]propanenitrile?
The IUPAC name of 3-[4-(4-aminophenyl)piperidin-1-yl]propanenitrile (CID 89306197) is 3-[4-(4-aminophenyl)piperidin-1-yl]propanenitrile.
What is the SMILES notation for 3-[4-(4-aminophenyl)piperidin-1-yl]propanenitrile?
The canonical SMILES for 3-[4-(4-aminophenyl)piperidin-1-yl]propanenitrile is N#CCCN1CCC(c2ccc(N)cc2)CC1.
What is the InChIKey of 3-[4-(4-aminophenyl)piperidin-1-yl]propanenitrile?
The InChIKey is HFFQNMNQQWKIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c15-8-1-9-17-10-6-13(7-11-17)12-2-4-14(16)5-3-12/h2-5,13H,1,6-7,9-11,16H2.
What are the key properties of 3-[4-(4-aminophenyl)piperidin-1-yl]propanenitrile?
3-[4-(4-aminophenyl)piperidin-1-yl]propanenitrile has a molecular weight of 229.33 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-aminophenyl)piperidin-1-yl]propanenitrile is sourced from PubChem (CID 89306197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).