4-(4-methoxy-3-methylphenyl)-1-methylpiperidine-4-carbonitrile

C15H20N2O — CID 82085511

IUPAC4-(4-methoxy-3-methylphenyl)-1-methylpiperidine-4-carbonitrile
SMILESCOc1ccc(C2(C#N)CCN(C)CC2)cc1C
InChIInChI=1S/C15H20N2O/c1-12-10-13(4-5-14(12)18-3)15(11-16)6-8-17(2)9-7-15/h4-5,10H,6-9H2,1-3H3
InChIKeyATWLEPODVOTDCX-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.49
Rot. Bonds2

About 4-(4-methoxy-3-methylphenyl)-1-methylpiperidine-4-carbonitrile

4-(4-methoxy-3-methylphenyl)-1-methylpiperidine-4-carbonitrile (PubChem CID 82085511) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-(4-methoxy-3-methylphenyl)-1-methylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name4-(4-methoxy-3-methylphenyl)-1-methylpiperidine-4-carbonitrile
PubChem CID82085511
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name4-(4-methoxy-3-methylphenyl)-1-methylpiperidine-4-carbonitrile
SMILESCOc1ccc(C2(C#N)CCN(C)CC2)cc1C
InChIInChI=1S/C15H20N2O/c1-12-10-13(4-5-14(12)18-3)15(11-16)6-8-17(2)9-7-15/h4-5,10H,6-9H2,1-3H3
InChIKeyATWLEPODVOTDCX-UHFFFAOYSA-N
XLogP2.49
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 83707869
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1-(4-ethoxy-3-methoxyphenyl)cyclopropane-1-carbonitrile
CID 116989214
1-(3,4-dimethoxyphenyl)-4-hydroxycyclohexane-1,4-dicarbonitrile
CID 3757105
1-(3-formyl-4-methoxyphenyl)cyclobutane-1-carbonitrile
CID 140857950
2-(3,4-dimethoxyphenyl)spiro[3.4]octane-2-carbonitrile
CID 65003162
1-(3-cyclopentyloxy-4-methoxyphenyl)cyclopentane-1-carbonitrile
CID 154535456
5-(1-cyanocyclopropyl)-2-methylbenzoic acid
CID 70845731
1-(1-methyl-2,3-dihydroindol-5-yl)cyclopropane-1-carbonitrile
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1-(4-methoxy-3-methylphenyl)cyclopropane-1-carbaldehyde
CID 82125542
1-(2-methoxy-5-methylphenyl)cyclopropane-1-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-3-methylphenyl)-1-methylpiperidine-4-carbonitrile?
The IUPAC name of 4-(4-methoxy-3-methylphenyl)-1-methylpiperidine-4-carbonitrile (CID 82085511) is 4-(4-methoxy-3-methylphenyl)-1-methylpiperidine-4-carbonitrile.
What is the SMILES notation for 4-(4-methoxy-3-methylphenyl)-1-methylpiperidine-4-carbonitrile?
The canonical SMILES for 4-(4-methoxy-3-methylphenyl)-1-methylpiperidine-4-carbonitrile is COc1ccc(C2(C#N)CCN(C)CC2)cc1C.
What is the InChIKey of 4-(4-methoxy-3-methylphenyl)-1-methylpiperidine-4-carbonitrile?
The InChIKey is ATWLEPODVOTDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-12-10-13(4-5-14(12)18-3)15(11-16)6-8-17(2)9-7-15/h4-5,10H,6-9H2,1-3H3.
What are the key properties of 4-(4-methoxy-3-methylphenyl)-1-methylpiperidine-4-carbonitrile?
4-(4-methoxy-3-methylphenyl)-1-methylpiperidine-4-carbonitrile has a molecular weight of 244.34 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-3-methylphenyl)-1-methylpiperidine-4-carbonitrile is sourced from PubChem (CID 82085511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).