2-(piperidin-4-ylmethyl)phenol;hydrobromide

C12H18BrNO — CID 138991384

IUPAC2-(piperidin-4-ylmethyl)phenol;hydrobromide
SMILESBr.Oc1ccccc1CC1CCNCC1
InChIInChI=1S/C12H17NO.BrH/c14-12-4-2-1-3-11(12)9-10-5-7-13-8-6-10;/h1-4,10,13-14H,5-9H2;1H
InChIKeyDTBSKZOPALPPFF-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.51
Rot. Bonds2

About 2-(piperidin-4-ylmethyl)phenol;hydrobromide

2-(piperidin-4-ylmethyl)phenol;hydrobromide (PubChem CID 138991384) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 2-(piperidin-4-ylmethyl)phenol;hydrobromide.

Molecular Properties

Compound Name2-(piperidin-4-ylmethyl)phenol;hydrobromide
PubChem CID138991384
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name2-(piperidin-4-ylmethyl)phenol;hydrobromide
SMILESBr.Oc1ccccc1CC1CCNCC1
InChIInChI=1S/C12H17NO.BrH/c14-12-4-2-1-3-11(12)9-10-5-7-13-8-6-10;/h1-4,10,13-14H,5-9H2;1H
InChIKeyDTBSKZOPALPPFF-UHFFFAOYSA-N
XLogP2.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-4-ylmethyl)phenol;hydrobromide?
The IUPAC name of 2-(piperidin-4-ylmethyl)phenol;hydrobromide (CID 138991384) is 2-(piperidin-4-ylmethyl)phenol;hydrobromide.
What is the SMILES notation for 2-(piperidin-4-ylmethyl)phenol;hydrobromide?
The canonical SMILES for 2-(piperidin-4-ylmethyl)phenol;hydrobromide is Br.Oc1ccccc1CC1CCNCC1.
What is the InChIKey of 2-(piperidin-4-ylmethyl)phenol;hydrobromide?
The InChIKey is DTBSKZOPALPPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.BrH/c14-12-4-2-1-3-11(12)9-10-5-7-13-8-6-10;/h1-4,10,13-14H,5-9H2;1H.
What are the key properties of 2-(piperidin-4-ylmethyl)phenol;hydrobromide?
2-(piperidin-4-ylmethyl)phenol;hydrobromide has a molecular weight of 272.19 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-4-ylmethyl)phenol;hydrobromide is sourced from PubChem (CID 138991384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).