4-[(3-chloro-4,5-dimethylphenyl)methyl]piperidine

C14H20ClN — CID 84798985

IUPAC4-[(3-chloro-4,5-dimethylphenyl)methyl]piperidine
SMILESCc1cc(CC2CCNCC2)cc(Cl)c1C
InChIInChI=1S/C14H20ClN/c1-10-7-13(9-14(15)11(10)2)8-12-3-5-16-6-4-12/h7,9,12,16H,3-6,8H2,1-2H3
InChIKeyXXDIXMTXMSRMKR-UHFFFAOYSA-N
MW237.77 g/mol
LogP3.50
Rot. Bonds2

About 4-[(3-chloro-4,5-dimethylphenyl)methyl]piperidine

4-[(3-chloro-4,5-dimethylphenyl)methyl]piperidine (PubChem CID 84798985) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 4-[(3-chloro-4,5-dimethylphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[(3-chloro-4,5-dimethylphenyl)methyl]piperidine
PubChem CID84798985
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name4-[(3-chloro-4,5-dimethylphenyl)methyl]piperidine
SMILESCc1cc(CC2CCNCC2)cc(Cl)c1C
InChIInChI=1S/C14H20ClN/c1-10-7-13(9-14(15)11(10)2)8-12-3-5-16-6-4-12/h7,9,12,16H,3-6,8H2,1-2H3
InChIKeyXXDIXMTXMSRMKR-UHFFFAOYSA-N
XLogP3.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-3-methyl-5-(piperidin-4-ylmethyl)phenol
CID 84800082
4-[(3-chloro-2,6-dimethylphenyl)methyl]piperidine
CID 84798988
4-[(3,4-dichlorophenyl)methyl]azepane
CID 83261164
4-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]piperidine
CID 84798690
4-[(3-methyl-4-methylsulfonylphenyl)methyl]piperidine
CID 117422375
2-(cyclopropylmethyl)-4-methyl-6-(piperidin-4-ylmethyl)-1,3-dihydroisoindole
CID 141171757
4-[(3-chloro-4-propan-2-ylsulfanylphenyl)methyl]piperidine
CID 117456610
2-chloro-4-methyl-5-(piperidin-4-ylmethyl)phenol
CID 84800081
2-chloro-N,N-dimethyl-5-(piperidin-4-ylmethyl)aniline
CID 117117892
4-[(5-chloro-2-methylphenyl)methyl]piperidine
CID 84688935
4-[(3,5-difluorophenyl)methyl]piperidine;hydrochloride
CID 86007003
4-[(5-chloro-2-methoxy-4-methylphenyl)methyl]piperidine
CID 82298661

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-4,5-dimethylphenyl)methyl]piperidine?
The IUPAC name of 4-[(3-chloro-4,5-dimethylphenyl)methyl]piperidine (CID 84798985) is 4-[(3-chloro-4,5-dimethylphenyl)methyl]piperidine.
What is the SMILES notation for 4-[(3-chloro-4,5-dimethylphenyl)methyl]piperidine?
The canonical SMILES for 4-[(3-chloro-4,5-dimethylphenyl)methyl]piperidine is Cc1cc(CC2CCNCC2)cc(Cl)c1C.
What is the InChIKey of 4-[(3-chloro-4,5-dimethylphenyl)methyl]piperidine?
The InChIKey is XXDIXMTXMSRMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-10-7-13(9-14(15)11(10)2)8-12-3-5-16-6-4-12/h7,9,12,16H,3-6,8H2,1-2H3.
What are the key properties of 4-[(3-chloro-4,5-dimethylphenyl)methyl]piperidine?
4-[(3-chloro-4,5-dimethylphenyl)methyl]piperidine has a molecular weight of 237.77 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-4,5-dimethylphenyl)methyl]piperidine is sourced from PubChem (CID 84798985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).