2-[2-(piperidin-4-ylmethoxy)phenyl]acetonitrile

C14H18N2O — CID 170886397

IUPAC2-[2-(piperidin-4-ylmethoxy)phenyl]acetonitrile
SMILESN#CCc1ccccc1OCC1CCNCC1
InChIInChI=1S/C14H18N2O/c15-8-5-13-3-1-2-4-14(13)17-11-12-6-9-16-10-7-12/h1-4,12,16H,5-7,9-11H2
InChIKeyYRNNQAHPLFZZKX-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.13
Rot. Bonds4

About 2-[2-(piperidin-4-ylmethoxy)phenyl]acetonitrile

2-[2-(piperidin-4-ylmethoxy)phenyl]acetonitrile (PubChem CID 170886397) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[2-(piperidin-4-ylmethoxy)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[2-(piperidin-4-ylmethoxy)phenyl]acetonitrile
PubChem CID170886397
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-[2-(piperidin-4-ylmethoxy)phenyl]acetonitrile
SMILESN#CCc1ccccc1OCC1CCNCC1
InChIInChI=1S/C14H18N2O/c15-8-5-13-3-1-2-4-14(13)17-11-12-6-9-16-10-7-12/h1-4,12,16H,5-7,9-11H2
InChIKeyYRNNQAHPLFZZKX-UHFFFAOYSA-N
XLogP2.13
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-chloro-3-(cyclopropylmethoxy)phenyl]acetonitrile
CID 84788345
4-[(2-methoxyphenoxy)methyl]piperidine
CID 22248030
4-[(2-iodophenoxy)methyl]piperidine;hydrochloride
CID 53409948
2-[2-(cyanomethoxy)phenyl]acetonitrile
CID 55267337
2-(2-piperidin-4-ylphenyl)acetonitrile
CID 117289499
4-[(2-phenylmethoxyphenoxy)methyl]piperidine;hydrochloride
CID 164512463
2-[2-(piperidin-4-ylmethyl)phenoxy]benzonitrile
CID 18669356
4-(piperidin-4-ylmethoxy)benzonitrile
CID 10560682
4-[[2-(1,1-difluoroethyl)phenoxy]methyl]piperidine
CID 115047555
5-bromo-2-(piperidin-4-ylmethoxy)benzonitrile
CID 90017560
N-[2-(piperidin-4-ylmethoxy)phenyl]-1,2,4-triazin-3-amine;hydrochloride
CID 69317613
1-(bromomethyl)-2-(cyclobutylmethoxy)benzene
CID 58083522

Frequently Asked Questions

What is the IUPAC name of 2-[2-(piperidin-4-ylmethoxy)phenyl]acetonitrile?
The IUPAC name of 2-[2-(piperidin-4-ylmethoxy)phenyl]acetonitrile (CID 170886397) is 2-[2-(piperidin-4-ylmethoxy)phenyl]acetonitrile.
What is the SMILES notation for 2-[2-(piperidin-4-ylmethoxy)phenyl]acetonitrile?
The canonical SMILES for 2-[2-(piperidin-4-ylmethoxy)phenyl]acetonitrile is N#CCc1ccccc1OCC1CCNCC1.
What is the InChIKey of 2-[2-(piperidin-4-ylmethoxy)phenyl]acetonitrile?
The InChIKey is YRNNQAHPLFZZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c15-8-5-13-3-1-2-4-14(13)17-11-12-6-9-16-10-7-12/h1-4,12,16H,5-7,9-11H2.
What are the key properties of 2-[2-(piperidin-4-ylmethoxy)phenyl]acetonitrile?
2-[2-(piperidin-4-ylmethoxy)phenyl]acetonitrile has a molecular weight of 230.31 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(piperidin-4-ylmethoxy)phenyl]acetonitrile is sourced from PubChem (CID 170886397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).