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

C12H18ClNO — CID 17039523

IUPAC4-(piperidin-3-ylmethyl)phenol;hydrochloride
SMILESCl.Oc1ccc(CC2CCCNC2)cc1
InChIInChI=1S/C12H17NO.ClH/c14-12-5-3-10(4-6-12)8-11-2-1-7-13-9-11;/h3-6,11,13-14H,1-2,7-9H2;1H
InChIKeyGSNBTANOZQDYOG-UHFFFAOYSA-N
MW227.73 g/mol
LogP2.36
Rot. Bonds2

About 4-(piperidin-3-ylmethyl)phenol;hydrochloride

4-(piperidin-3-ylmethyl)phenol;hydrochloride (PubChem CID 17039523) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is 4-(piperidin-3-ylmethyl)phenol;hydrochloride.

Molecular Properties

Compound Name4-(piperidin-3-ylmethyl)phenol;hydrochloride
PubChem CID17039523
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name4-(piperidin-3-ylmethyl)phenol;hydrochloride
SMILESCl.Oc1ccc(CC2CCCNC2)cc1
InChIInChI=1S/C12H17NO.ClH/c14-12-5-3-10(4-6-12)8-11-2-1-7-13-9-11;/h3-6,11,13-14H,1-2,7-9H2;1H
InChIKeyGSNBTANOZQDYOG-UHFFFAOYSA-N
XLogP2.36
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-3-ylmethyl)phenol;hydrochloride?
The IUPAC name of 4-(piperidin-3-ylmethyl)phenol;hydrochloride (CID 17039523) is 4-(piperidin-3-ylmethyl)phenol;hydrochloride.
What is the SMILES notation for 4-(piperidin-3-ylmethyl)phenol;hydrochloride?
The canonical SMILES for 4-(piperidin-3-ylmethyl)phenol;hydrochloride is Cl.Oc1ccc(CC2CCCNC2)cc1.
What is the InChIKey of 4-(piperidin-3-ylmethyl)phenol;hydrochloride?
The InChIKey is GSNBTANOZQDYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.ClH/c14-12-5-3-10(4-6-12)8-11-2-1-7-13-9-11;/h3-6,11,13-14H,1-2,7-9H2;1H.
What are the key properties of 4-(piperidin-3-ylmethyl)phenol;hydrochloride?
4-(piperidin-3-ylmethyl)phenol;hydrochloride has a molecular weight of 227.73 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-3-ylmethyl)phenol;hydrochloride is sourced from PubChem (CID 17039523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).