1-[[4-(furan-2-yl)phenyl]methyl]-3-methylpiperidine-3-carbonitrile

C18H20N2O — CID 131903355

IUPAC1-[[4-(furan-2-yl)phenyl]methyl]-3-methylpiperidine-3-carbonitrile
SMILESCC1(C#N)CCCN(Cc2ccc(-c3ccco3)cc2)C1
InChIInChI=1S/C18H20N2O/c1-18(13-19)9-3-10-20(14-18)12-15-5-7-16(8-6-15)17-4-2-11-21-17/h2,4-8,11H,3,9-10,12,14H2,1H3
InChIKeyFJILVIYIQXJMSY-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.07
Rot. Bonds3

About 1-[[4-(furan-2-yl)phenyl]methyl]-3-methylpiperidine-3-carbonitrile

1-[[4-(furan-2-yl)phenyl]methyl]-3-methylpiperidine-3-carbonitrile (PubChem CID 131903355) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[[4-(furan-2-yl)phenyl]methyl]-3-methylpiperidine-3-carbonitrile.

Molecular Properties

Compound Name1-[[4-(furan-2-yl)phenyl]methyl]-3-methylpiperidine-3-carbonitrile
PubChem CID131903355
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name1-[[4-(furan-2-yl)phenyl]methyl]-3-methylpiperidine-3-carbonitrile
SMILESCC1(C#N)CCCN(Cc2ccc(-c3ccco3)cc2)C1
InChIInChI=1S/C18H20N2O/c1-18(13-19)9-3-10-20(14-18)12-15-5-7-16(8-6-15)17-4-2-11-21-17/h2,4-8,11H,3,9-10,12,14H2,1H3
InChIKeyFJILVIYIQXJMSY-UHFFFAOYSA-N
XLogP4.07
TPSA40.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-cyano-3-methylpiperidin-1-yl)methyl]benzoic acid
CID 131906181
1-[(5-ethylthiophen-2-yl)methyl]-3-methylpiperidine-3-carbonitrile
CID 131903864
(3S)-1-[2-(furan-2-yl)-2-oxoacetyl]-3-methylpiperidine-3-carbonitrile
CID 99934268
1-[[1-[[4-(furan-2-yl)phenyl]methyl]piperidin-4-yl]methyl]-4-methylpiperazine
CID 77091017
1-benzyl-3-(furan-2-yl)piperidin-3-amine
CID 83693426
1-[4-(furan-2-yl)phenyl]-N-methylmethanamine
CID 7537512
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methylpiperidine-3-carbonitrile
CID 131925287
1-benzyl-3-methylpiperidin-3-ol
CID 15283107
1-benzyl-3-fluoro-3-methylpiperidine
CID 136545779
(3S)-1-benzyl-3-methylpiperidine-3-thiol
CID 97176105
(3S)-1-benzyl-3-bromo-3-methylpiperidine
CID 97176093
[2-[[4-(furan-2-yl)phenyl]methyl]-5-[(5-methylthiophen-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol
CID 138382211

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(furan-2-yl)phenyl]methyl]-3-methylpiperidine-3-carbonitrile?
The IUPAC name of 1-[[4-(furan-2-yl)phenyl]methyl]-3-methylpiperidine-3-carbonitrile (CID 131903355) is 1-[[4-(furan-2-yl)phenyl]methyl]-3-methylpiperidine-3-carbonitrile.
What is the SMILES notation for 1-[[4-(furan-2-yl)phenyl]methyl]-3-methylpiperidine-3-carbonitrile?
The canonical SMILES for 1-[[4-(furan-2-yl)phenyl]methyl]-3-methylpiperidine-3-carbonitrile is CC1(C#N)CCCN(Cc2ccc(-c3ccco3)cc2)C1.
What is the InChIKey of 1-[[4-(furan-2-yl)phenyl]methyl]-3-methylpiperidine-3-carbonitrile?
The InChIKey is FJILVIYIQXJMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-18(13-19)9-3-10-20(14-18)12-15-5-7-16(8-6-15)17-4-2-11-21-17/h2,4-8,11H,3,9-10,12,14H2,1H3.
What are the key properties of 1-[[4-(furan-2-yl)phenyl]methyl]-3-methylpiperidine-3-carbonitrile?
1-[[4-(furan-2-yl)phenyl]methyl]-3-methylpiperidine-3-carbonitrile has a molecular weight of 280.37 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(furan-2-yl)phenyl]methyl]-3-methylpiperidine-3-carbonitrile is sourced from PubChem (CID 131903355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).