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

C14H19ClN2O — CID 12004556

IUPAC4-(4-methoxyphenyl)-1-methylpiperidine-4-carbonitrile;hydrochloride
SMILESCOc1ccc(C2(C#N)CCN(C)CC2)cc1.Cl
InChIInChI=1S/C14H18N2O.ClH/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;1H
InChIKeyDZOLYPWINPNPIN-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.60
Rot. Bonds2

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

4-(4-methoxyphenyl)-1-methylpiperidine-4-carbonitrile;hydrochloride (PubChem CID 12004556) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1-methylpiperidine-4-carbonitrile;hydrochloride.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1-methylpiperidine-4-carbonitrile;hydrochloride
PubChem CID12004556
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name4-(4-methoxyphenyl)-1-methylpiperidine-4-carbonitrile;hydrochloride
SMILESCOc1ccc(C2(C#N)CCN(C)CC2)cc1.Cl
InChIInChI=1S/C14H18N2O.ClH/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;1H
InChIKeyDZOLYPWINPNPIN-UHFFFAOYSA-N
XLogP2.60
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.60
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;hydrochloride?
The IUPAC name of 4-(4-methoxyphenyl)-1-methylpiperidine-4-carbonitrile;hydrochloride (CID 12004556) is 4-(4-methoxyphenyl)-1-methylpiperidine-4-carbonitrile;hydrochloride.
What is the SMILES notation for 4-(4-methoxyphenyl)-1-methylpiperidine-4-carbonitrile;hydrochloride?
The canonical SMILES for 4-(4-methoxyphenyl)-1-methylpiperidine-4-carbonitrile;hydrochloride is COc1ccc(C2(C#N)CCN(C)CC2)cc1.Cl.
What is the InChIKey of 4-(4-methoxyphenyl)-1-methylpiperidine-4-carbonitrile;hydrochloride?
The InChIKey is DZOLYPWINPNPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O.ClH/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;1H.
What are the key properties of 4-(4-methoxyphenyl)-1-methylpiperidine-4-carbonitrile;hydrochloride?
4-(4-methoxyphenyl)-1-methylpiperidine-4-carbonitrile;hydrochloride has a molecular weight of 266.77 g/mol, XLogP of 2.60, 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;hydrochloride is sourced from PubChem (CID 12004556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).