3-(2-piperidin-1-ylphenyl)propanenitrile;hydrochloride

C14H19ClN2 — CID 67111375

IUPAC3-(2-piperidin-1-ylphenyl)propanenitrile;hydrochloride
SMILESCl.N#CCCc1ccccc1N1CCCCC1
InChIInChI=1S/C14H18N2.ClH/c15-10-6-8-13-7-2-3-9-14(13)16-11-4-1-5-12-16;/h2-3,7,9H,1,4-6,8,11-12H2;1H
InChIKeySKKCHLCNCIJECG-UHFFFAOYSA-N
MW250.77 g/mol
LogP3.55
Rot. Bonds3

About 3-(2-piperidin-1-ylphenyl)propanenitrile;hydrochloride

3-(2-piperidin-1-ylphenyl)propanenitrile;hydrochloride (PubChem CID 67111375) has the molecular formula C14H19ClN2 and a molecular weight of 250.77 g/mol. Its IUPAC name is 3-(2-piperidin-1-ylphenyl)propanenitrile;hydrochloride.

Molecular Properties

Compound Name3-(2-piperidin-1-ylphenyl)propanenitrile;hydrochloride
PubChem CID67111375
Molecular FormulaC14H19ClN2
Molecular Weight250.77 g/mol
Exact Mass250.12
IUPAC Name3-(2-piperidin-1-ylphenyl)propanenitrile;hydrochloride
SMILESCl.N#CCCc1ccccc1N1CCCCC1
InChIInChI=1S/C14H18N2.ClH/c15-10-6-8-13-7-2-3-9-14(13)16-11-4-1-5-12-16;/h2-3,7,9H,1,4-6,8,11-12H2;1H
InChIKeySKKCHLCNCIJECG-UHFFFAOYSA-N
XLogP3.55
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

azane;1-(2-butylphenyl)piperidine
CID 70222464
1-[2-(2-piperidin-1-ylphenyl)ethyl]piperazine
CID 117436771
2-[2-(2-pyrrolidin-1-ylphenyl)ethyl]pyridine
CID 168512294
2-[(2-pyrrolidin-1-ylphenyl)methylamino]benzonitrile
CID 43762376
2-[(2-pyrrolidin-1-ylphenyl)methyl]phenol
CID 13201564
1-[2-(2,2-dimethylpropyl)phenyl]pyrrolidine
CID 129255508
N-[[2-(azepan-1-yl)phenyl]methyl]propan-2-amine
CID 43280522
N-[(2-piperidin-1-ylphenyl)methyl]propan-2-amine
CID 43213770
3-[2-(cyanomethyl)phenyl]propanenitrile
CID 55267785
2,2-dimethyl-3-[(2-pyrrolidin-1-ylphenyl)methylamino]propanenitrile
CID 104587166
1-[[(2-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclobutan-1-ol
CID 115621560
N-[4-(cyanomethyl)phenyl]-2-(2-pyrrolidin-1-ylphenyl)acetamide
CID 154873833

Frequently Asked Questions

What is the IUPAC name of 3-(2-piperidin-1-ylphenyl)propanenitrile;hydrochloride?
The IUPAC name of 3-(2-piperidin-1-ylphenyl)propanenitrile;hydrochloride (CID 67111375) is 3-(2-piperidin-1-ylphenyl)propanenitrile;hydrochloride.
What is the SMILES notation for 3-(2-piperidin-1-ylphenyl)propanenitrile;hydrochloride?
The canonical SMILES for 3-(2-piperidin-1-ylphenyl)propanenitrile;hydrochloride is Cl.N#CCCc1ccccc1N1CCCCC1.
What is the InChIKey of 3-(2-piperidin-1-ylphenyl)propanenitrile;hydrochloride?
The InChIKey is SKKCHLCNCIJECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2.ClH/c15-10-6-8-13-7-2-3-9-14(13)16-11-4-1-5-12-16;/h2-3,7,9H,1,4-6,8,11-12H2;1H.
What are the key properties of 3-(2-piperidin-1-ylphenyl)propanenitrile;hydrochloride?
3-(2-piperidin-1-ylphenyl)propanenitrile;hydrochloride has a molecular weight of 250.77 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperidin-1-ylphenyl)propanenitrile;hydrochloride is sourced from PubChem (CID 67111375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).