1-(4-chlorophenyl)-4,4-dimethylpiperidin-3-ol

C13H18ClNO — CID 117025109

IUPAC1-(4-chlorophenyl)-4,4-dimethylpiperidin-3-ol
SMILESCC1(C)CCN(c2ccc(Cl)cc2)CC1O
InChIInChI=1S/C13H18ClNO/c1-13(2)7-8-15(9-12(13)16)11-5-3-10(14)4-6-11/h3-6,12,16H,7-9H2,1-2H3
InChIKeySHSMFLXWQOAYIA-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.94
Rot. Bonds1

About 1-(4-chlorophenyl)-4,4-dimethylpiperidin-3-ol

1-(4-chlorophenyl)-4,4-dimethylpiperidin-3-ol (PubChem CID 117025109) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4,4-dimethylpiperidin-3-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4,4-dimethylpiperidin-3-ol
PubChem CID117025109
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name1-(4-chlorophenyl)-4,4-dimethylpiperidin-3-ol
SMILESCC1(C)CCN(c2ccc(Cl)cc2)CC1O
InChIInChI=1S/C13H18ClNO/c1-13(2)7-8-15(9-12(13)16)11-5-3-10(14)4-6-11/h3-6,12,16H,7-9H2,1-2H3
InChIKeySHSMFLXWQOAYIA-UHFFFAOYSA-N
XLogP2.94
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-dimethyl-1-(3-methylphenyl)piperidin-3-ol
CID 117025087
1-(4-chlorophenyl)-4-methylpiperidin-4-ol;ethane
CID 155585717
1-(2-fluorophenyl)-4,4-dimethylpiperidin-3-ol
CID 117025105
(3S,4R)-1-(4-chlorophenyl)pyrrolidine-3,4-diol
CID 95562583
(3S)-1-(4-chlorophenyl)-3-fluoropyrrolidine
CID 166093392
1-(4-tert-butylphenyl)-4,4-dimethylpiperidin-3-amine
CID 117025265
1-(4-fluorophenyl)-N,4,4-trimethylpiperidin-3-amine
CID 117025355
1-(4-chlorophenyl)-N-methylazetidin-3-amine
CID 117002912
1-(4-chlorophenyl)-3,5-dimethylpiperazine
CID 22633049
1-(4-chlorophenyl)-6,6-dimethylpiperidin-3-ol
CID 117020860
5-(4-chlorophenyl)-2,2-dimethylcyclohexan-1-ol
CID 23373017
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-4,4-dimethylpiperidine-1-carboxamide
CID 166184698

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4,4-dimethylpiperidin-3-ol?
The IUPAC name of 1-(4-chlorophenyl)-4,4-dimethylpiperidin-3-ol (CID 117025109) is 1-(4-chlorophenyl)-4,4-dimethylpiperidin-3-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-4,4-dimethylpiperidin-3-ol?
The canonical SMILES for 1-(4-chlorophenyl)-4,4-dimethylpiperidin-3-ol is CC1(C)CCN(c2ccc(Cl)cc2)CC1O.
What is the InChIKey of 1-(4-chlorophenyl)-4,4-dimethylpiperidin-3-ol?
The InChIKey is SHSMFLXWQOAYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-13(2)7-8-15(9-12(13)16)11-5-3-10(14)4-6-11/h3-6,12,16H,7-9H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-4,4-dimethylpiperidin-3-ol?
1-(4-chlorophenyl)-4,4-dimethylpiperidin-3-ol has a molecular weight of 239.75 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4,4-dimethylpiperidin-3-ol is sourced from PubChem (CID 117025109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).