3-chloro-1-[(2,6-dimethylphenyl)methyl]-4-methylpiperidine

C15H22ClN — CID 102959994

IUPAC3-chloro-1-[(2,6-dimethylphenyl)methyl]-4-methylpiperidine
SMILESCc1cccc(C)c1CN1CCC(C)C(Cl)C1
InChIInChI=1S/C15H22ClN/c1-11-5-4-6-12(2)14(11)9-17-8-7-13(3)15(16)10-17/h4-6,13,15H,7-10H2,1-3H3
InChIKeyLOAWQBYQLSYTHZ-UHFFFAOYSA-N
MW251.80 g/mol
LogP3.75
Rot. Bonds2

About 3-chloro-1-[(2,6-dimethylphenyl)methyl]-4-methylpiperidine

3-chloro-1-[(2,6-dimethylphenyl)methyl]-4-methylpiperidine (PubChem CID 102959994) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is 3-chloro-1-[(2,6-dimethylphenyl)methyl]-4-methylpiperidine.

Molecular Properties

Compound Name3-chloro-1-[(2,6-dimethylphenyl)methyl]-4-methylpiperidine
PubChem CID102959994
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC Name3-chloro-1-[(2,6-dimethylphenyl)methyl]-4-methylpiperidine
SMILESCc1cccc(C)c1CN1CCC(C)C(Cl)C1
InChIInChI=1S/C15H22ClN/c1-11-5-4-6-12(2)14(11)9-17-8-7-13(3)15(16)10-17/h4-6,13,15H,7-10H2,1-3H3
InChIKeyLOAWQBYQLSYTHZ-UHFFFAOYSA-N
XLogP3.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 53.75
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

1-[(2,6-dimethylphenyl)methyl]pyrrolidin-3-ol
CID 115532407
3-chloro-4-methyl-1-[(4-methylphenyl)methyl]piperidine
CID 102960231
3-[(3-chloro-4-methylpiperidin-1-yl)methyl]phenol
CID 102960125
1-[1-[(2,6-dimethylphenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 81493001
3-chloro-4-methyl-1-(thiophen-2-ylmethyl)piperidine
CID 102959815
3-chloro-1-[(3,5-difluorophenyl)methyl]-4-methylpiperidine
CID 102960013
3-bromo-1-[(2,6-dichlorophenyl)methyl]-4-methylpiperidine
CID 102960502
1-[(4-bromo-2-fluorophenyl)methyl]-3-chloro-4-methylpiperidine
CID 102959961
3-chloro-4-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperidine
CID 102960205
3-chloro-2-[(3,4-dimethylpiperidin-1-yl)methyl]phenol
CID 113346151
(3S,4S)-1-benzyl-4-chloro-3-methylpiperidine
CID 97176910
(3R)-N,N-dimethyl-1-[(2-methyl-6-phosphanylphenyl)methyl]pyrrolidin-3-amine
CID 166885584

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[(2,6-dimethylphenyl)methyl]-4-methylpiperidine?
The IUPAC name of 3-chloro-1-[(2,6-dimethylphenyl)methyl]-4-methylpiperidine (CID 102959994) is 3-chloro-1-[(2,6-dimethylphenyl)methyl]-4-methylpiperidine.
What is the SMILES notation for 3-chloro-1-[(2,6-dimethylphenyl)methyl]-4-methylpiperidine?
The canonical SMILES for 3-chloro-1-[(2,6-dimethylphenyl)methyl]-4-methylpiperidine is Cc1cccc(C)c1CN1CCC(C)C(Cl)C1.
What is the InChIKey of 3-chloro-1-[(2,6-dimethylphenyl)methyl]-4-methylpiperidine?
The InChIKey is LOAWQBYQLSYTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c1-11-5-4-6-12(2)14(11)9-17-8-7-13(3)15(16)10-17/h4-6,13,15H,7-10H2,1-3H3.
What are the key properties of 3-chloro-1-[(2,6-dimethylphenyl)methyl]-4-methylpiperidine?
3-chloro-1-[(2,6-dimethylphenyl)methyl]-4-methylpiperidine has a molecular weight of 251.80 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[(2,6-dimethylphenyl)methyl]-4-methylpiperidine is sourced from PubChem (CID 102959994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).