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

C13H19NO — CID 84778623

IUPAC3-methyl-5-(piperidin-3-ylmethyl)phenol
SMILESCc1cc(O)cc(CC2CCCNC2)c1
InChIInChI=1S/C13H19NO/c1-10-5-12(8-13(15)6-10)7-11-3-2-4-14-9-11/h5-6,8,11,14-15H,2-4,7,9H2,1H3
InChIKeySDYNHCMZCWDXOR-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.24
Rot. Bonds2

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

3-methyl-5-(piperidin-3-ylmethyl)phenol (PubChem CID 84778623) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-methyl-5-(piperidin-3-ylmethyl)phenol.

Molecular Properties

Compound Name3-methyl-5-(piperidin-3-ylmethyl)phenol
PubChem CID84778623
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-methyl-5-(piperidin-3-ylmethyl)phenol
SMILESCc1cc(O)cc(CC2CCCNC2)c1
InChIInChI=1S/C13H19NO/c1-10-5-12(8-13(15)6-10)7-11-3-2-4-14-9-11/h5-6,8,11,14-15H,2-4,7,9H2,1H3
InChIKeySDYNHCMZCWDXOR-UHFFFAOYSA-N
XLogP2.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(piperidin-3-ylmethyl)phenol
CID 57155980
3-[(3-methylphenyl)methyl]piperidine
CID 17039519
(3S)-3-[(3-methylphenyl)methyl]piperidine
CID 39345685
(3S)-3-[(4-methoxy-3,5-dimethylphenyl)methyl]piperidine
CID 39345701
3-chloro-5-methyl-2-(piperidin-3-ylmethyl)phenol
CID 84800063
3-fluoro-2-methyl-5-(piperidin-3-ylmethyl)benzoic acid
CID 117381399
2-fluoro-3-methoxy-5-(piperidin-3-ylmethyl)phenol
CID 84799634
(3S)-3-[(4,5-dimethylfuran-2-yl)methyl]piperidine
CID 131093396
5,7-dimethyl-3-(piperidin-3-ylmethyl)quinoline
CID 84635397
3-[(9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-7-yl)methyl]piperidine
CID 82245842
3-[(2-fluoro-3,5-dimethylphenyl)methyl]piperidine
CID 84788111
2,3,6-trimethyl-4-(piperidin-3-ylmethyl)phenol
CID 117117997

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(piperidin-3-ylmethyl)phenol?
The IUPAC name of 3-methyl-5-(piperidin-3-ylmethyl)phenol (CID 84778623) is 3-methyl-5-(piperidin-3-ylmethyl)phenol.
What is the SMILES notation for 3-methyl-5-(piperidin-3-ylmethyl)phenol?
The canonical SMILES for 3-methyl-5-(piperidin-3-ylmethyl)phenol is Cc1cc(O)cc(CC2CCCNC2)c1.
What is the InChIKey of 3-methyl-5-(piperidin-3-ylmethyl)phenol?
The InChIKey is SDYNHCMZCWDXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10-5-12(8-13(15)6-10)7-11-3-2-4-14-9-11/h5-6,8,11,14-15H,2-4,7,9H2,1H3.
What are the key properties of 3-methyl-5-(piperidin-3-ylmethyl)phenol?
3-methyl-5-(piperidin-3-ylmethyl)phenol has a molecular weight of 205.30 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(piperidin-3-ylmethyl)phenol is sourced from PubChem (CID 84778623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).