3-chloro-4-methyl-1-[(4-methylphenyl)methyl]piperidine

C14H20ClN — CID 102960231

IUPAC3-chloro-4-methyl-1-[(4-methylphenyl)methyl]piperidine
SMILESCc1ccc(CN2CCC(C)C(Cl)C2)cc1
InChIInChI=1S/C14H20ClN/c1-11-3-5-13(6-4-11)9-16-8-7-12(2)14(15)10-16/h3-6,12,14H,7-10H2,1-2H3
InChIKeyXODQGJRVQUMADW-UHFFFAOYSA-N
MW237.77 g/mol
LogP3.44
Rot. Bonds2

About 3-chloro-4-methyl-1-[(4-methylphenyl)methyl]piperidine

3-chloro-4-methyl-1-[(4-methylphenyl)methyl]piperidine (PubChem CID 102960231) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 3-chloro-4-methyl-1-[(4-methylphenyl)methyl]piperidine.

Molecular Properties

Compound Name3-chloro-4-methyl-1-[(4-methylphenyl)methyl]piperidine
PubChem CID102960231
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name3-chloro-4-methyl-1-[(4-methylphenyl)methyl]piperidine
SMILESCc1ccc(CN2CCC(C)C(Cl)C2)cc1
InChIInChI=1S/C14H20ClN/c1-11-3-5-13(6-4-11)9-16-8-7-12(2)14(15)10-16/h3-6,12,14H,7-10H2,1-2H3
InChIKeyXODQGJRVQUMADW-UHFFFAOYSA-N
XLogP3.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-1-[(3,5-difluorophenyl)methyl]-4-methylpiperidine
CID 102960013
3-chloro-1-[(4-chloro-3-fluorophenyl)methyl]-4-methylpiperidine
CID 107887652
3-chloro-1-[(2,6-dimethylphenyl)methyl]-4-methylpiperidine
CID 102959994
3-ethyl-1-[(4-methylphenyl)methyl]pyrrolidine
CID 144719735
(3R)-3-methyl-1-[(4-methylphenyl)methyl]piperidine
CID 51531591
3-[(3-chloro-4-methylpiperidin-1-yl)methyl]phenol
CID 102960125
(3S,4S)-1-benzyl-4-chloro-3-methylpiperidine
CID 97176910
1-[(3-bromo-5-fluorophenyl)methyl]-3-chloro-4-methylpiperidine
CID 102959990
1-[(4-methylphenyl)methyl]piperidin-4-amine;hydrochloride
CID 17221614
4-ethyl-1-[(4-methylphenyl)methyl]piperidine
CID 144879966
N-methyl-1-[(4-methylphenyl)methyl]piperidin-4-amine
CID 43315345
3-chloro-4-methyl-1-(thiophen-2-ylmethyl)piperidine
CID 102959815

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-1-[(4-methylphenyl)methyl]piperidine?
The IUPAC name of 3-chloro-4-methyl-1-[(4-methylphenyl)methyl]piperidine (CID 102960231) is 3-chloro-4-methyl-1-[(4-methylphenyl)methyl]piperidine.
What is the SMILES notation for 3-chloro-4-methyl-1-[(4-methylphenyl)methyl]piperidine?
The canonical SMILES for 3-chloro-4-methyl-1-[(4-methylphenyl)methyl]piperidine is Cc1ccc(CN2CCC(C)C(Cl)C2)cc1.
What is the InChIKey of 3-chloro-4-methyl-1-[(4-methylphenyl)methyl]piperidine?
The InChIKey is XODQGJRVQUMADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-11-3-5-13(6-4-11)9-16-8-7-12(2)14(15)10-16/h3-6,12,14H,7-10H2,1-2H3.
What are the key properties of 3-chloro-4-methyl-1-[(4-methylphenyl)methyl]piperidine?
3-chloro-4-methyl-1-[(4-methylphenyl)methyl]piperidine has a molecular weight of 237.77 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-1-[(4-methylphenyl)methyl]piperidine is sourced from PubChem (CID 102960231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).