2-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]acetonitrile

C15H20N2 — CID 82135679

IUPAC2-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]acetonitrile
SMILESCC1CCCCN1Cc1ccc(CC#N)cc1
InChIInChI=1S/C15H20N2/c1-13-4-2-3-11-17(13)12-15-7-5-14(6-8-15)9-10-16/h5-8,13H,2-4,9,11-12H2,1H3
InChIKeyHDABUBVBKOCCKH-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.13
Rot. Bonds3

About 2-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]acetonitrile

2-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]acetonitrile (PubChem CID 82135679) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]acetonitrile
PubChem CID82135679
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name2-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]acetonitrile
SMILESCC1CCCCN1Cc1ccc(CC#N)cc1
InChIInChI=1S/C15H20N2/c1-13-4-2-3-11-17(13)12-15-7-5-14(6-8-15)9-10-16/h5-8,13H,2-4,9,11-12H2,1H3
InChIKeyHDABUBVBKOCCKH-UHFFFAOYSA-N
XLogP3.13
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-iodophenyl)methyl]-2-methylpiperidine
CID 65477935
4-[[(2R)-2-methylpiperidin-1-yl]methyl]benzenethiol
CID 97294059
2-[4-[(2R)-2-hydroxy-3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]acetonitrile
CID 100836371
1-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]ethanol
CID 82165998
1-(furan-3-ylmethyl)-2-methylpiperidine
CID 131067183
2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]acetonitrile
CID 82135670
2-[4-cyclopropyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]acetonitrile
CID 82437627
2-methyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 47288928
2-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 86990672
[2-fluoro-5-[(2-methylpiperidin-1-yl)methyl]phenyl]boronic acid
CID 54970904
2-methoxy-5-[[(2S)-2-methylpiperidin-1-yl]methyl]pyridine
CID 95789080
N-ethyl-2-[4-[(2-methylazepan-1-yl)methyl]phenyl]propan-1-amine
CID 105347840

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]acetonitrile?
The IUPAC name of 2-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]acetonitrile (CID 82135679) is 2-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]acetonitrile is CC1CCCCN1Cc1ccc(CC#N)cc1.
What is the InChIKey of 2-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]acetonitrile?
The InChIKey is HDABUBVBKOCCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-13-4-2-3-11-17(13)12-15-7-5-14(6-8-15)9-10-16/h5-8,13H,2-4,9,11-12H2,1H3.
What are the key properties of 2-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]acetonitrile?
2-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]acetonitrile has a molecular weight of 228.34 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]acetonitrile is sourced from PubChem (CID 82135679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).