3-(piperidin-1-ylmethyl)phenol;hydrochloride

C12H18ClNO — CID 15944725

IUPAC3-(piperidin-1-ylmethyl)phenol;hydrochloride
SMILESCl.Oc1cccc(CN2CCCCC2)c1
InChIInChI=1S/C12H17NO.ClH/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;1H
InChIKeyKOGCGJZGEVBWDE-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.80
Rot. Bonds2

About 3-(piperidin-1-ylmethyl)phenol;hydrochloride

3-(piperidin-1-ylmethyl)phenol;hydrochloride (PubChem CID 15944725) has the molecular formula C12H18ClNO and a molecular weight of 227.74 g/mol. Its IUPAC name is 3-(piperidin-1-ylmethyl)phenol;hydrochloride.

Molecular Properties

Compound Name3-(piperidin-1-ylmethyl)phenol;hydrochloride
PubChem CID15944725
Molecular FormulaC12H18ClNO
Molecular Weight227.74 g/mol
Exact Mass227.11
IUPAC Name3-(piperidin-1-ylmethyl)phenol;hydrochloride
SMILESCl.Oc1cccc(CN2CCCCC2)c1
InChIInChI=1S/C12H17NO.ClH/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;1H
InChIKeyKOGCGJZGEVBWDE-UHFFFAOYSA-N
XLogP2.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.80
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;hydrochloride?
The IUPAC name of 3-(piperidin-1-ylmethyl)phenol;hydrochloride (CID 15944725) is 3-(piperidin-1-ylmethyl)phenol;hydrochloride.
What is the SMILES notation for 3-(piperidin-1-ylmethyl)phenol;hydrochloride?
The canonical SMILES for 3-(piperidin-1-ylmethyl)phenol;hydrochloride is Cl.Oc1cccc(CN2CCCCC2)c1.
What is the InChIKey of 3-(piperidin-1-ylmethyl)phenol;hydrochloride?
The InChIKey is KOGCGJZGEVBWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.ClH/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;1H.
What are the key properties of 3-(piperidin-1-ylmethyl)phenol;hydrochloride?
3-(piperidin-1-ylmethyl)phenol;hydrochloride has a molecular weight of 227.74 g/mol, XLogP of 2.80, 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;hydrochloride is sourced from PubChem (CID 15944725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).