4-(piperidin-2-ylmethyl)phenol

C12H17NO — CID 71326189

IUPAC4-(piperidin-2-ylmethyl)phenol
SMILESOc1ccc(CC2CCCCN2)cc1
InChIInChI=1S/C12H17NO/c14-12-6-4-10(5-7-12)9-11-3-1-2-8-13-11/h4-7,11,13-14H,1-3,8-9H2
InChIKeyJWPJAOZGRNAHFQ-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.08
Rot. Bonds2

About 4-(piperidin-2-ylmethyl)phenol

4-(piperidin-2-ylmethyl)phenol (PubChem CID 71326189) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 4-(piperidin-2-ylmethyl)phenol.

Molecular Properties

Compound Name4-(piperidin-2-ylmethyl)phenol
PubChem CID71326189
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name4-(piperidin-2-ylmethyl)phenol
SMILESOc1ccc(CC2CCCCN2)cc1
InChIInChI=1S/C12H17NO/c14-12-6-4-10(5-7-12)9-11-3-1-2-8-13-11/h4-7,11,13-14H,1-3,8-9H2
InChIKeyJWPJAOZGRNAHFQ-UHFFFAOYSA-N
XLogP2.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-2-ylmethyl)phenol?
The IUPAC name of 4-(piperidin-2-ylmethyl)phenol (CID 71326189) is 4-(piperidin-2-ylmethyl)phenol.
What is the SMILES notation for 4-(piperidin-2-ylmethyl)phenol?
The canonical SMILES for 4-(piperidin-2-ylmethyl)phenol is Oc1ccc(CC2CCCCN2)cc1.
What is the InChIKey of 4-(piperidin-2-ylmethyl)phenol?
The InChIKey is JWPJAOZGRNAHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c14-12-6-4-10(5-7-12)9-11-3-1-2-8-13-11/h4-7,11,13-14H,1-3,8-9H2.
What are the key properties of 4-(piperidin-2-ylmethyl)phenol?
4-(piperidin-2-ylmethyl)phenol has a molecular weight of 191.27 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-2-ylmethyl)phenol is sourced from PubChem (CID 71326189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).