4-(2-amino-2-phenylethyl)piperidine-4-carbonitrile

C14H19N3 — CID 67086793

IUPAC4-(2-amino-2-phenylethyl)piperidine-4-carbonitrile
SMILESN#CC1(CC(N)c2ccccc2)CCNCC1
InChIInChI=1S/C14H19N3/c15-11-14(6-8-17-9-7-14)10-13(16)12-4-2-1-3-5-12/h1-5,13,17H,6-10,16H2
InChIKeyJHOUGCNZJOHISA-UHFFFAOYSA-N
MW229.33 g/mol
LogP1.97
Rot. Bonds3

About 4-(2-amino-2-phenylethyl)piperidine-4-carbonitrile

4-(2-amino-2-phenylethyl)piperidine-4-carbonitrile (PubChem CID 67086793) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 4-(2-amino-2-phenylethyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-(2-amino-2-phenylethyl)piperidine-4-carbonitrile
PubChem CID67086793
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name4-(2-amino-2-phenylethyl)piperidine-4-carbonitrile
SMILESN#CC1(CC(N)c2ccccc2)CCNCC1
InChIInChI=1S/C14H19N3/c15-11-14(6-8-17-9-7-14)10-13(16)12-4-2-1-3-5-12/h1-5,13,17H,6-10,16H2
InChIKeyJHOUGCNZJOHISA-UHFFFAOYSA-N
XLogP1.97
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-phenylethyl)piperidine-4-carbonitrile?
The IUPAC name of 4-(2-amino-2-phenylethyl)piperidine-4-carbonitrile (CID 67086793) is 4-(2-amino-2-phenylethyl)piperidine-4-carbonitrile.
What is the SMILES notation for 4-(2-amino-2-phenylethyl)piperidine-4-carbonitrile?
The canonical SMILES for 4-(2-amino-2-phenylethyl)piperidine-4-carbonitrile is N#CC1(CC(N)c2ccccc2)CCNCC1.
What is the InChIKey of 4-(2-amino-2-phenylethyl)piperidine-4-carbonitrile?
The InChIKey is JHOUGCNZJOHISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c15-11-14(6-8-17-9-7-14)10-13(16)12-4-2-1-3-5-12/h1-5,13,17H,6-10,16H2.
What are the key properties of 4-(2-amino-2-phenylethyl)piperidine-4-carbonitrile?
4-(2-amino-2-phenylethyl)piperidine-4-carbonitrile has a molecular weight of 229.33 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-phenylethyl)piperidine-4-carbonitrile is sourced from PubChem (CID 67086793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).