4-(4-methoxyphenyl)-1-methylpiperidine-4-carbonitrile

C14H18N2O — CID 919231

IUPAC4-(4-methoxyphenyl)-1-methylpiperidine-4-carbonitrile
SMILESCOc1ccc(C2(C#N)CCN(C)CC2)cc1
InChIInChI=1S/C14H18N2O/c1-16-9-7-14(11-15,8-10-16)12-3-5-13(17-2)6-4-12/h3-6H,7-10H2,1-2H3
InChIKeyUSVAOKPYGQRLBI-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.18
Rot. Bonds2

About 4-(4-methoxyphenyl)-1-methylpiperidine-4-carbonitrile

4-(4-methoxyphenyl)-1-methylpiperidine-4-carbonitrile (PubChem CID 919231) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1-methylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1-methylpiperidine-4-carbonitrile
PubChem CID919231
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name4-(4-methoxyphenyl)-1-methylpiperidine-4-carbonitrile
SMILESCOc1ccc(C2(C#N)CCN(C)CC2)cc1
InChIInChI=1S/C14H18N2O/c1-16-9-7-14(11-15,8-10-16)12-3-5-13(17-2)6-4-12/h3-6H,7-10H2,1-2H3
InChIKeyUSVAOKPYGQRLBI-UHFFFAOYSA-N
XLogP2.18
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-1-methylpiperidine-4-carbonitrile?
The IUPAC name of 4-(4-methoxyphenyl)-1-methylpiperidine-4-carbonitrile (CID 919231) is 4-(4-methoxyphenyl)-1-methylpiperidine-4-carbonitrile.
What is the SMILES notation for 4-(4-methoxyphenyl)-1-methylpiperidine-4-carbonitrile?
The canonical SMILES for 4-(4-methoxyphenyl)-1-methylpiperidine-4-carbonitrile is COc1ccc(C2(C#N)CCN(C)CC2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-1-methylpiperidine-4-carbonitrile?
The InChIKey is USVAOKPYGQRLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-16-9-7-14(11-15,8-10-16)12-3-5-13(17-2)6-4-12/h3-6H,7-10H2,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)-1-methylpiperidine-4-carbonitrile?
4-(4-methoxyphenyl)-1-methylpiperidine-4-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1-methylpiperidine-4-carbonitrile is sourced from PubChem (CID 919231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).