3-(piperidin-1-ylmethyl)phenol

C12H17NO — CID 826974

IUPAC3-(piperidin-1-ylmethyl)phenol
SMILESOc1cccc(CN2CCCCC2)c1
InChIInChI=1S/C12H17NO/c14-12-6-4-5-11(9-12)10-13-7-2-1-3-8-13/h4-6,9,14H,1-3,7-8,10H2
InChIKeyORGBERFQYFWYGX-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.38
Rot. Bonds2

About 3-(piperidin-1-ylmethyl)phenol

3-(piperidin-1-ylmethyl)phenol (PubChem CID 826974) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-(piperidin-1-ylmethyl)phenol.

Molecular Properties

Compound Name3-(piperidin-1-ylmethyl)phenol
PubChem CID826974
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-(piperidin-1-ylmethyl)phenol
SMILESOc1cccc(CN2CCCCC2)c1
InChIInChI=1S/C12H17NO/c14-12-6-4-5-11(9-12)10-13-7-2-1-3-8-13/h4-6,9,14H,1-3,7-8,10H2
InChIKeyORGBERFQYFWYGX-UHFFFAOYSA-N
XLogP2.38
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-1-ylmethyl)phenol?
The IUPAC name of 3-(piperidin-1-ylmethyl)phenol (CID 826974) is 3-(piperidin-1-ylmethyl)phenol.
What is the SMILES notation for 3-(piperidin-1-ylmethyl)phenol?
The canonical SMILES for 3-(piperidin-1-ylmethyl)phenol is Oc1cccc(CN2CCCCC2)c1.
What is the InChIKey of 3-(piperidin-1-ylmethyl)phenol?
The InChIKey is ORGBERFQYFWYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c14-12-6-4-5-11(9-12)10-13-7-2-1-3-8-13/h4-6,9,14H,1-3,7-8,10H2.
What are the key properties of 3-(piperidin-1-ylmethyl)phenol?
3-(piperidin-1-ylmethyl)phenol has a molecular weight of 191.27 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-1-ylmethyl)phenol is sourced from PubChem (CID 826974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).