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

C13H18ClN — CID 69230633

IUPAC4-(4-chloro-2-methylphenyl)-3-methylpiperidine
SMILESCc1cc(Cl)ccc1C1CCNCC1C
InChIInChI=1S/C13H18ClN/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
InChIKeyIWUIDQNNVYPNIF-UHFFFAOYSA-N
MW223.75 g/mol
LogP3.36
Rot. Bonds1

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

4-(4-chloro-2-methylphenyl)-3-methylpiperidine (PubChem CID 69230633) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is 4-(4-chloro-2-methylphenyl)-3-methylpiperidine.

Molecular Properties

Compound Name4-(4-chloro-2-methylphenyl)-3-methylpiperidine
PubChem CID69230633
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name4-(4-chloro-2-methylphenyl)-3-methylpiperidine
SMILESCc1cc(Cl)ccc1C1CCNCC1C
InChIInChI=1S/C13H18ClN/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
InChIKeyIWUIDQNNVYPNIF-UHFFFAOYSA-N
XLogP3.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-chloro-2-methylphenyl)-3-methylpiperidine;hydrochloride
CID 69230632
4-(4-fluoro-2-methylphenyl)-3-methylpiperidine
CID 66277962
4-(2,3-difluoro-4-methylphenyl)-3-methylpiperidine
CID 107514264
4-(2,4-difluorophenyl)-3-methylpiperidine
CID 66279713
(2R)-2-(4-chloro-2-methylphenyl)azetidine
CID 130665012
(3S,4S)-4-[2-chloro-4-(trifluoromethyl)phenyl]-3-methylpiperidine
CID 69230877
(3R,4R)-4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylpiperidine
CID 51353699
(3R,4R)-3-(4-chlorophenyl)-4-methylpiperidine
CID 70225291
4-(4-chloro-5-fluoro-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride
CID 22495777
4-(2-chloro-3,4-dimethoxyphenyl)-3-methylpiperidine
CID 79320890
4-(2,4-dichlorophenyl)-3-propan-2-ylpiperidine
CID 79321406
(3R,4R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-3-methylpiperidine
CID 69231558

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methylphenyl)-3-methylpiperidine?
The IUPAC name of 4-(4-chloro-2-methylphenyl)-3-methylpiperidine (CID 69230633) is 4-(4-chloro-2-methylphenyl)-3-methylpiperidine.
What is the SMILES notation for 4-(4-chloro-2-methylphenyl)-3-methylpiperidine?
The canonical SMILES for 4-(4-chloro-2-methylphenyl)-3-methylpiperidine is Cc1cc(Cl)ccc1C1CCNCC1C.
What is the InChIKey of 4-(4-chloro-2-methylphenyl)-3-methylpiperidine?
The InChIKey is IWUIDQNNVYPNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN/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.
What are the key properties of 4-(4-chloro-2-methylphenyl)-3-methylpiperidine?
4-(4-chloro-2-methylphenyl)-3-methylpiperidine has a molecular weight of 223.75 g/mol, XLogP of 3.36, 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 is sourced from PubChem (CID 69230633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).