4-(4-chloro-2-methylphenyl)-3-methylpiperidine;hydrochloride

C13H19Cl2N — CID 69230632

IUPAC4-(4-chloro-2-methylphenyl)-3-methylpiperidine;hydrochloride
SMILESCc1cc(Cl)ccc1C1CCNCC1C.Cl
InChIInChI=1S/C13H18ClN.ClH/c1-9-7-11(14)3-4-12(9)13-5-6-15-8-10(13)2;/h3-4,7,10,13,15H,5-6,8H2,1-2H3;1H
InChIKeyYTPSYXPBBAXFON-UHFFFAOYSA-N
MW260.21 g/mol
LogP3.78
Rot. Bonds1

About 4-(4-chloro-2-methylphenyl)-3-methylpiperidine;hydrochloride

4-(4-chloro-2-methylphenyl)-3-methylpiperidine;hydrochloride (PubChem CID 69230632) has the molecular formula C13H19Cl2N and a molecular weight of 260.21 g/mol. Its IUPAC name is 4-(4-chloro-2-methylphenyl)-3-methylpiperidine;hydrochloride.

Molecular Properties

Compound Name4-(4-chloro-2-methylphenyl)-3-methylpiperidine;hydrochloride
PubChem CID69230632
Molecular FormulaC13H19Cl2N
Molecular Weight260.21 g/mol
Exact Mass259.09
IUPAC Name4-(4-chloro-2-methylphenyl)-3-methylpiperidine;hydrochloride
SMILESCc1cc(Cl)ccc1C1CCNCC1C.Cl
InChIInChI=1S/C13H18ClN.ClH/c1-9-7-11(14)3-4-12(9)13-5-6-15-8-10(13)2;/h3-4,7,10,13,15H,5-6,8H2,1-2H3;1H
InChIKeyYTPSYXPBBAXFON-UHFFFAOYSA-N
XLogP3.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methylphenyl)-3-methylpiperidine;hydrochloride?
The IUPAC name of 4-(4-chloro-2-methylphenyl)-3-methylpiperidine;hydrochloride (CID 69230632) is 4-(4-chloro-2-methylphenyl)-3-methylpiperidine;hydrochloride.
What is the SMILES notation for 4-(4-chloro-2-methylphenyl)-3-methylpiperidine;hydrochloride?
The canonical SMILES for 4-(4-chloro-2-methylphenyl)-3-methylpiperidine;hydrochloride is Cc1cc(Cl)ccc1C1CCNCC1C.Cl.
What is the InChIKey of 4-(4-chloro-2-methylphenyl)-3-methylpiperidine;hydrochloride?
The InChIKey is YTPSYXPBBAXFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN.ClH/c1-9-7-11(14)3-4-12(9)13-5-6-15-8-10(13)2;/h3-4,7,10,13,15H,5-6,8H2,1-2H3;1H.
What are the key properties of 4-(4-chloro-2-methylphenyl)-3-methylpiperidine;hydrochloride?
4-(4-chloro-2-methylphenyl)-3-methylpiperidine;hydrochloride has a molecular weight of 260.21 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methylphenyl)-3-methylpiperidine;hydrochloride is sourced from PubChem (CID 69230632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).