(4-hydroxyphenyl)-piperidin-4-ylmethanone;hydrochloride

C12H16ClNO2 — CID 13180305

IUPAC(4-hydroxyphenyl)-piperidin-4-ylmethanone;hydrochloride
SMILESCl.O=C(c1ccc(O)cc1)C1CCNCC1
InChIInChI=1S/C12H15NO2.ClH/c14-11-3-1-9(2-4-11)12(15)10-5-7-13-8-6-10;/h1-4,10,13-14H,5-8H2;1H
InChIKeyYJFSJVQBTORROA-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.00
Rot. Bonds2

About (4-hydroxyphenyl)-piperidin-4-ylmethanone;hydrochloride

(4-hydroxyphenyl)-piperidin-4-ylmethanone;hydrochloride (PubChem CID 13180305) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is (4-hydroxyphenyl)-piperidin-4-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(4-hydroxyphenyl)-piperidin-4-ylmethanone;hydrochloride
PubChem CID13180305
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name(4-hydroxyphenyl)-piperidin-4-ylmethanone;hydrochloride
SMILESCl.O=C(c1ccc(O)cc1)C1CCNCC1
InChIInChI=1S/C12H15NO2.ClH/c14-11-3-1-9(2-4-11)12(15)10-5-7-13-8-6-10;/h1-4,10,13-14H,5-8H2;1H
InChIKeyYJFSJVQBTORROA-UHFFFAOYSA-N
XLogP2.00
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-hydroxyethyl)phenyl]-piperidin-4-ylmethanone
CID 20613864
phenyl-[(3R)-pyrrolidin-3-yl]methanone
CID 86327261
pyridin-4-yl(pyrrolidin-3-yl)methanone;dihydrochloride
CID 91623851
[4-[[di(propan-2-yl)amino]methyl]phenyl]-piperidin-4-ylmethanone
CID 22628177
[4-(3-methylbutyl)phenyl]-piperidin-4-ylmethanone;hydrochloride
CID 162315237
piperidin-4-yl-(4-trimethylsilyloxyphenyl)methanone
CID 167722571
piperidin-4-yl-[4-(trifluoromethoxy)phenyl]methanone
CID 23081458
(4-chlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;(4-chlorophenyl)-piperidin-4-ylmethanone;hydrochloride
CID 160738469
2,1,3-benzoxadiazol-5-yl(piperidin-4-yl)methanone;hydrochloride
CID 67916351
(4-hydroxy-3-nitrophenyl)-piperidin-4-ylmethanone
CID 96827821
piperidin-4-yl-(2,4,6-trihydroxyphenyl)methanone
CID 96710202
piperidin-4-yl-(4-propylsulfanylphenyl)methanone
CID 82553748

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl)-piperidin-4-ylmethanone;hydrochloride?
The IUPAC name of (4-hydroxyphenyl)-piperidin-4-ylmethanone;hydrochloride (CID 13180305) is (4-hydroxyphenyl)-piperidin-4-ylmethanone;hydrochloride.
What is the SMILES notation for (4-hydroxyphenyl)-piperidin-4-ylmethanone;hydrochloride?
The canonical SMILES for (4-hydroxyphenyl)-piperidin-4-ylmethanone;hydrochloride is Cl.O=C(c1ccc(O)cc1)C1CCNCC1.
What is the InChIKey of (4-hydroxyphenyl)-piperidin-4-ylmethanone;hydrochloride?
The InChIKey is YJFSJVQBTORROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2.ClH/c14-11-3-1-9(2-4-11)12(15)10-5-7-13-8-6-10;/h1-4,10,13-14H,5-8H2;1H.
What are the key properties of (4-hydroxyphenyl)-piperidin-4-ylmethanone;hydrochloride?
(4-hydroxyphenyl)-piperidin-4-ylmethanone;hydrochloride has a molecular weight of 241.72 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl)-piperidin-4-ylmethanone;hydrochloride is sourced from PubChem (CID 13180305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).