2-(piperidin-3-ylmethyl)phenol

C12H17NO — CID 84663516

IUPAC2-(piperidin-3-ylmethyl)phenol
SMILESOc1ccccc1CC1CCCNC1
InChIInChI=1S/C12H17NO/c14-12-6-2-1-5-11(12)8-10-4-3-7-13-9-10/h1-2,5-6,10,13-14H,3-4,7-9H2
InChIKeyUULQDGKDXPBJKC-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.93
Rot. Bonds2

About 2-(piperidin-3-ylmethyl)phenol

2-(piperidin-3-ylmethyl)phenol (PubChem CID 84663516) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-(piperidin-3-ylmethyl)phenol.

Molecular Properties

Compound Name2-(piperidin-3-ylmethyl)phenol
PubChem CID84663516
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-(piperidin-3-ylmethyl)phenol
SMILESOc1ccccc1CC1CCCNC1
InChIInChI=1S/C12H17NO/c14-12-6-2-1-5-11(12)8-10-4-3-7-13-9-10/h1-2,5-6,10,13-14H,3-4,7-9H2
InChIKeyUULQDGKDXPBJKC-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-3-ylmethyl)phenol?
The IUPAC name of 2-(piperidin-3-ylmethyl)phenol (CID 84663516) is 2-(piperidin-3-ylmethyl)phenol.
What is the SMILES notation for 2-(piperidin-3-ylmethyl)phenol?
The canonical SMILES for 2-(piperidin-3-ylmethyl)phenol is Oc1ccccc1CC1CCCNC1.
What is the InChIKey of 2-(piperidin-3-ylmethyl)phenol?
The InChIKey is UULQDGKDXPBJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c14-12-6-2-1-5-11(12)8-10-4-3-7-13-9-10/h1-2,5-6,10,13-14H,3-4,7-9H2.
What are the key properties of 2-(piperidin-3-ylmethyl)phenol?
2-(piperidin-3-ylmethyl)phenol has a molecular weight of 191.27 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-3-ylmethyl)phenol is sourced from PubChem (CID 84663516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).