2-[4-(3-methoxyphenyl)piperidin-4-yl]acetonitrile

C14H18N2O — CID 174481601

IUPAC2-[4-(3-methoxyphenyl)piperidin-4-yl]acetonitrile
SMILESCOc1cccc(C2(CC#N)CCNCC2)c1
InChIInChI=1S/C14H18N2O/c1-17-13-4-2-3-12(11-13)14(5-8-15)6-9-16-10-7-14/h2-4,11,16H,5-7,9-10H2,1H3
InChIKeyHONGKZBYQQZIMT-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.23
Rot. Bonds3

About 2-[4-(3-methoxyphenyl)piperidin-4-yl]acetonitrile

2-[4-(3-methoxyphenyl)piperidin-4-yl]acetonitrile (PubChem CID 174481601) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[4-(3-methoxyphenyl)piperidin-4-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-(3-methoxyphenyl)piperidin-4-yl]acetonitrile
PubChem CID174481601
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-[4-(3-methoxyphenyl)piperidin-4-yl]acetonitrile
SMILESCOc1cccc(C2(CC#N)CCNCC2)c1
InChIInChI=1S/C14H18N2O/c1-17-13-4-2-3-12(11-13)14(5-8-15)6-9-16-10-7-14/h2-4,11,16H,5-7,9-10H2,1H3
InChIKeyHONGKZBYQQZIMT-UHFFFAOYSA-N
XLogP2.23
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-fluoro-3-(3-methoxyphenyl)pyrrolidine
CID 124547155
2-[1-(4-methoxyphenyl)cyclopropyl]acetonitrile
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CID 23534042
[5-(3-methoxyphenyl)spiro[2.3]hexan-5-yl]methanamine
CID 65008436
1-(3-methoxyphenyl)cyclopentane-1-carbonitrile
CID 15030110
2-(3-methoxyphenyl)-2-propylazetidine
CID 115058563
4-(3-methoxyphenyl)-4-(2H-tetrazol-5-yl)piperidine
CID 116844704
1-(3-methoxyphenyl)-4-(piperidin-4-ylamino)cyclohexane-1-carbonitrile;dihydrochloride
CID 23133669
1-(3-methoxyphenyl)-4-piperazin-1-ylcyclohexane-1-carbonitrile
CID 23133699
(3S)-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one
CID 11264195
4-[(3-methoxyphenoxy)methyl]piperidin-4-ol
CID 81042080
2-[1-(3-methoxyphenyl)cyclopropyl]acetic acid
CID 82077265

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxyphenyl)piperidin-4-yl]acetonitrile?
The IUPAC name of 2-[4-(3-methoxyphenyl)piperidin-4-yl]acetonitrile (CID 174481601) is 2-[4-(3-methoxyphenyl)piperidin-4-yl]acetonitrile.
What is the SMILES notation for 2-[4-(3-methoxyphenyl)piperidin-4-yl]acetonitrile?
The canonical SMILES for 2-[4-(3-methoxyphenyl)piperidin-4-yl]acetonitrile is COc1cccc(C2(CC#N)CCNCC2)c1.
What is the InChIKey of 2-[4-(3-methoxyphenyl)piperidin-4-yl]acetonitrile?
The InChIKey is HONGKZBYQQZIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-17-13-4-2-3-12(11-13)14(5-8-15)6-9-16-10-7-14/h2-4,11,16H,5-7,9-10H2,1H3.
What are the key properties of 2-[4-(3-methoxyphenyl)piperidin-4-yl]acetonitrile?
2-[4-(3-methoxyphenyl)piperidin-4-yl]acetonitrile has a molecular weight of 230.31 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxyphenyl)piperidin-4-yl]acetonitrile is sourced from PubChem (CID 174481601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).