3-chloro-6-methyl-2-(piperidin-4-ylmethyl)phenol

C13H18ClNO — CID 84800086

IUPAC3-chloro-6-methyl-2-(piperidin-4-ylmethyl)phenol
SMILESCc1ccc(Cl)c(CC2CCNCC2)c1O
InChIInChI=1S/C13H18ClNO/c1-9-2-3-12(14)11(13(9)16)8-10-4-6-15-7-5-10/h2-3,10,15-16H,4-8H2,1H3
InChIKeyGTRTYEOCVAMZTO-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.90
Rot. Bonds2

About 3-chloro-6-methyl-2-(piperidin-4-ylmethyl)phenol

3-chloro-6-methyl-2-(piperidin-4-ylmethyl)phenol (PubChem CID 84800086) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 3-chloro-6-methyl-2-(piperidin-4-ylmethyl)phenol.

Molecular Properties

Compound Name3-chloro-6-methyl-2-(piperidin-4-ylmethyl)phenol
PubChem CID84800086
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name3-chloro-6-methyl-2-(piperidin-4-ylmethyl)phenol
SMILESCc1ccc(Cl)c(CC2CCNCC2)c1O
InChIInChI=1S/C13H18ClNO/c1-9-2-3-12(14)11(13(9)16)8-10-4-6-15-7-5-10/h2-3,10,15-16H,4-8H2,1H3
InChIKeyGTRTYEOCVAMZTO-UHFFFAOYSA-N
XLogP2.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-dimethyl-2-(piperidin-4-ylmethyl)phenol
CID 84786990
4-[(3-chloro-2,6-dimethylphenyl)methyl]piperidine
CID 84798988
4-[(6-chloro-2-methoxy-3-methylphenyl)methyl]piperidine
CID 117387720
4-[(3-chloro-2-methoxy-6-methylphenyl)methyl]piperidine
CID 117387735
3-fluoro-4-methyl-2-(piperidin-4-ylmethyl)phenol
CID 84789130
4-[(2,6-dimethylphenyl)methyl]piperidine
CID 103840873
4-[(2,6-difluoro-3-methylphenyl)methyl]piperidine
CID 82823243
2-chloro-4-methyl-5-(piperidin-4-ylmethyl)phenol
CID 84800081
4-[(6-chloro-2-fluoro-3-methoxyphenyl)methyl]piperidine
CID 117398048
4-[(6-chloro-3-fluoro-2-methoxyphenyl)methyl]piperidine
CID 117398051
4-[(6-bromo-2-fluoro-3-methylphenyl)methyl]piperidine
CID 84813696
4-[(5-chloro-2-methylphenyl)methyl]piperidine
CID 84688935

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-methyl-2-(piperidin-4-ylmethyl)phenol?
The IUPAC name of 3-chloro-6-methyl-2-(piperidin-4-ylmethyl)phenol (CID 84800086) is 3-chloro-6-methyl-2-(piperidin-4-ylmethyl)phenol.
What is the SMILES notation for 3-chloro-6-methyl-2-(piperidin-4-ylmethyl)phenol?
The canonical SMILES for 3-chloro-6-methyl-2-(piperidin-4-ylmethyl)phenol is Cc1ccc(Cl)c(CC2CCNCC2)c1O.
What is the InChIKey of 3-chloro-6-methyl-2-(piperidin-4-ylmethyl)phenol?
The InChIKey is GTRTYEOCVAMZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-9-2-3-12(14)11(13(9)16)8-10-4-6-15-7-5-10/h2-3,10,15-16H,4-8H2,1H3.
What are the key properties of 3-chloro-6-methyl-2-(piperidin-4-ylmethyl)phenol?
3-chloro-6-methyl-2-(piperidin-4-ylmethyl)phenol has a molecular weight of 239.75 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-methyl-2-(piperidin-4-ylmethyl)phenol is sourced from PubChem (CID 84800086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).