2-chloro-4-methyl-5-(piperidin-4-ylmethyl)phenol

C13H18ClNO — CID 84800081

IUPAC2-chloro-4-methyl-5-(piperidin-4-ylmethyl)phenol
SMILESCc1cc(Cl)c(O)cc1CC1CCNCC1
InChIInChI=1S/C13H18ClNO/c1-9-6-12(14)13(16)8-11(9)7-10-2-4-15-5-3-10/h6,8,10,15-16H,2-5,7H2,1H3
InChIKeyJYTHKFWLTSYAGU-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.90
Rot. Bonds2

About 2-chloro-4-methyl-5-(piperidin-4-ylmethyl)phenol

2-chloro-4-methyl-5-(piperidin-4-ylmethyl)phenol (PubChem CID 84800081) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-chloro-4-methyl-5-(piperidin-4-ylmethyl)phenol.

Molecular Properties

Compound Name2-chloro-4-methyl-5-(piperidin-4-ylmethyl)phenol
PubChem CID84800081
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name2-chloro-4-methyl-5-(piperidin-4-ylmethyl)phenol
SMILESCc1cc(Cl)c(O)cc1CC1CCNCC1
InChIInChI=1S/C13H18ClNO/c1-9-6-12(14)13(16)8-11(9)7-10-2-4-15-5-3-10/h6,8,10,15-16H,2-5,7H2,1H3
InChIKeyJYTHKFWLTSYAGU-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

2-chloro-4-methyl-5-(piperidin-3-ylmethyl)phenol
CID 84800060
4,5-dimethyl-2-(piperidin-4-ylmethyl)phenol
CID 84786987
4-[(5-chloro-2-methylphenyl)methyl]piperidine
CID 84688935
2-chloro-4-methyl-5-piperidin-4-ylphenol
CID 84790670
2-chloro-3-methyl-5-(piperidin-4-ylmethyl)phenol
CID 84800082
4-[(5-chloro-2-methoxy-4-methylphenyl)methyl]piperidine
CID 82298661
2-tert-butyl-4-chloro-6-(piperidin-4-ylmethyl)phenol
CID 117452826
5-methoxy-4-methyl-2-(piperidin-4-ylmethyl)phenol
CID 84797533
2-chloro-4-ethyl-6-(piperidin-4-ylmethyl)phenol
CID 117387726
4-fluoro-2-methyl-6-(piperidin-4-ylmethyl)phenol
CID 84789132
3-chloro-6-methyl-2-(piperidin-4-ylmethyl)phenol
CID 84800086
4-fluoro-3-methyl-5-(piperidin-4-ylmethyl)phenol
CID 117320386

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-5-(piperidin-4-ylmethyl)phenol?
The IUPAC name of 2-chloro-4-methyl-5-(piperidin-4-ylmethyl)phenol (CID 84800081) is 2-chloro-4-methyl-5-(piperidin-4-ylmethyl)phenol.
What is the SMILES notation for 2-chloro-4-methyl-5-(piperidin-4-ylmethyl)phenol?
The canonical SMILES for 2-chloro-4-methyl-5-(piperidin-4-ylmethyl)phenol is Cc1cc(Cl)c(O)cc1CC1CCNCC1.
What is the InChIKey of 2-chloro-4-methyl-5-(piperidin-4-ylmethyl)phenol?
The InChIKey is JYTHKFWLTSYAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-9-6-12(14)13(16)8-11(9)7-10-2-4-15-5-3-10/h6,8,10,15-16H,2-5,7H2,1H3.
What are the key properties of 2-chloro-4-methyl-5-(piperidin-4-ylmethyl)phenol?
2-chloro-4-methyl-5-(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 2-chloro-4-methyl-5-(piperidin-4-ylmethyl)phenol is sourced from PubChem (CID 84800081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).