3-chloro-5-methyl-2-(piperidin-3-ylmethyl)phenol

C13H18ClNO — CID 84800063

IUPAC3-chloro-5-methyl-2-(piperidin-3-ylmethyl)phenol
SMILESCc1cc(O)c(CC2CCCNC2)c(Cl)c1
InChIInChI=1S/C13H18ClNO/c1-9-5-12(14)11(13(16)6-9)7-10-3-2-4-15-8-10/h5-6,10,15-16H,2-4,7-8H2,1H3
InChIKeyQWEUHDFGJQXICV-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.90
Rot. Bonds2

About 3-chloro-5-methyl-2-(piperidin-3-ylmethyl)phenol

3-chloro-5-methyl-2-(piperidin-3-ylmethyl)phenol (PubChem CID 84800063) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 3-chloro-5-methyl-2-(piperidin-3-ylmethyl)phenol.

Molecular Properties

Compound Name3-chloro-5-methyl-2-(piperidin-3-ylmethyl)phenol
PubChem CID84800063
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name3-chloro-5-methyl-2-(piperidin-3-ylmethyl)phenol
SMILESCc1cc(O)c(CC2CCCNC2)c(Cl)c1
InChIInChI=1S/C13H18ClNO/c1-9-5-12(14)11(13(16)6-9)7-10-3-2-4-15-8-10/h5-6,10,15-16H,2-4,7-8H2,1H3
InChIKeyQWEUHDFGJQXICV-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
3-methyl-5-(piperidin-3-ylmethyl)phenol
CID 84778623
2-chloro-3,5,6-trimethyl-4-(piperidin-3-ylmethyl)phenol
CID 117117999
5-chloro-2-methoxy-4-(piperidin-3-ylmethyl)phenol
CID 117392596
3-[(4-chloro-2,6-difluorophenyl)methyl]piperidine
CID 84802944
2-fluoro-3-(piperidin-3-ylmethyl)benzene-1,4-diol
CID 84790076
2-chloro-4-(piperidin-3-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 117474191
6-chloro-5-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-7-ol
CID 117456202
(3S)-3-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]piperidine
CID 86320246
2-chloro-4-(piperidin-3-ylmethyl)-5-(trifluoromethyl)phenol
CID 117473845
2-bromo-5-methyl-4-(piperidin-3-ylmethyl)phenol
CID 84812910
3-chloro-5-methyl-2-pyrrolidin-2-ylphenol
CID 84782063

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methyl-2-(piperidin-3-ylmethyl)phenol?
The IUPAC name of 3-chloro-5-methyl-2-(piperidin-3-ylmethyl)phenol (CID 84800063) is 3-chloro-5-methyl-2-(piperidin-3-ylmethyl)phenol.
What is the SMILES notation for 3-chloro-5-methyl-2-(piperidin-3-ylmethyl)phenol?
The canonical SMILES for 3-chloro-5-methyl-2-(piperidin-3-ylmethyl)phenol is Cc1cc(O)c(CC2CCCNC2)c(Cl)c1.
What is the InChIKey of 3-chloro-5-methyl-2-(piperidin-3-ylmethyl)phenol?
The InChIKey is QWEUHDFGJQXICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-9-5-12(14)11(13(16)6-9)7-10-3-2-4-15-8-10/h5-6,10,15-16H,2-4,7-8H2,1H3.
What are the key properties of 3-chloro-5-methyl-2-(piperidin-3-ylmethyl)phenol?
3-chloro-5-methyl-2-(piperidin-3-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-5-methyl-2-(piperidin-3-ylmethyl)phenol is sourced from PubChem (CID 84800063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).