3-[(4-methylphenyl)methyl]piperidin-3-ol

C13H19NO — CID 63588493

IUPAC3-[(4-methylphenyl)methyl]piperidin-3-ol
SMILESCc1ccc(CC2(O)CCCNC2)cc1
InChIInChI=1S/C13H19NO/c1-11-3-5-12(6-4-11)9-13(15)7-2-8-14-10-13/h3-6,14-15H,2,7-10H2,1H3
InChIKeyKALAPNJSVOXYRV-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.65
Rot. Bonds2

About 3-[(4-methylphenyl)methyl]piperidin-3-ol

3-[(4-methylphenyl)methyl]piperidin-3-ol (PubChem CID 63588493) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-[(4-methylphenyl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name3-[(4-methylphenyl)methyl]piperidin-3-ol
PubChem CID63588493
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-[(4-methylphenyl)methyl]piperidin-3-ol
SMILESCc1ccc(CC2(O)CCCNC2)cc1
InChIInChI=1S/C13H19NO/c1-11-3-5-12(6-4-11)9-13(15)7-2-8-14-10-13/h3-6,14-15H,2,7-10H2,1H3
InChIKeyKALAPNJSVOXYRV-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)methyl]piperidin-3-ol?
The IUPAC name of 3-[(4-methylphenyl)methyl]piperidin-3-ol (CID 63588493) is 3-[(4-methylphenyl)methyl]piperidin-3-ol.
What is the SMILES notation for 3-[(4-methylphenyl)methyl]piperidin-3-ol?
The canonical SMILES for 3-[(4-methylphenyl)methyl]piperidin-3-ol is Cc1ccc(CC2(O)CCCNC2)cc1.
What is the InChIKey of 3-[(4-methylphenyl)methyl]piperidin-3-ol?
The InChIKey is KALAPNJSVOXYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-11-3-5-12(6-4-11)9-13(15)7-2-8-14-10-13/h3-6,14-15H,2,7-10H2,1H3.
What are the key properties of 3-[(4-methylphenyl)methyl]piperidin-3-ol?
3-[(4-methylphenyl)methyl]piperidin-3-ol has a molecular weight of 205.30 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)methyl]piperidin-3-ol is sourced from PubChem (CID 63588493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).