1-(4-chlorophenyl)-4-methylpiperidin-4-ol;ethane

C14H22ClNO — CID 155585717

IUPAC1-(4-chlorophenyl)-4-methylpiperidin-4-ol;ethane
SMILESCC.CC1(O)CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C12H16ClNO.C2H6/c1-12(15)6-8-14(9-7-12)11-4-2-10(13)3-5-11;1-2/h2-5,15H,6-9H2,1H3;1-2H3
InChIKeyJMBDYJXRLNJLKS-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.72
Rot. Bonds1

About 1-(4-chlorophenyl)-4-methylpiperidin-4-ol;ethane

1-(4-chlorophenyl)-4-methylpiperidin-4-ol;ethane (PubChem CID 155585717) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-methylpiperidin-4-ol;ethane.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-methylpiperidin-4-ol;ethane
PubChem CID155585717
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name1-(4-chlorophenyl)-4-methylpiperidin-4-ol;ethane
SMILESCC.CC1(O)CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C12H16ClNO.C2H6/c1-12(15)6-8-14(9-7-12)11-4-2-10(13)3-5-11;1-2/h2-5,15H,6-9H2,1H3;1-2H3
InChIKeyJMBDYJXRLNJLKS-UHFFFAOYSA-N
XLogP3.72
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-hydroxyphenyl)-4-methylpiperidin-4-ol
CID 115025215
1-(4-chlorophenyl)-4,4-dimethylpiperidin-3-ol
CID 117025109
1-[3-chloro-4-(1-hydroxyethyl)phenyl]-4-methylpiperidin-4-ol
CID 81102971
1-[4-(ethylaminomethyl)phenyl]-4-methylpiperidin-4-ol
CID 81103568
ethane;4-methyl-1-(3-methylphenyl)piperidin-4-ol
CID 145068457
[1-(4-chlorophenyl)-3-hydroxypyrrolidin-3-yl]-methylphosphanylmethanone
CID 118058504
3-(4-chlorophenyl)-3,9-diazaspiro[5.5]undecane
CID 15940805
1-[3-chloro-4-(hydroxymethyl)phenyl]-4-methylazepan-4-ol
CID 114064313
methyl 1-(4-chlorophenyl)-3-hydroxypyrrolidine-3-carboxylate
CID 122579158
4-(4-fluoro-4-methylpiperidin-1-yl)aniline
CID 115025957
4-[4-(4-chlorophenyl)piperazin-1-yl]cyclohexan-1-ol
CID 114762371
1-(4-chlorophenyl)-4-(4-methylcyclohexyl)piperazine
CID 23856792

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-methylpiperidin-4-ol;ethane?
The IUPAC name of 1-(4-chlorophenyl)-4-methylpiperidin-4-ol;ethane (CID 155585717) is 1-(4-chlorophenyl)-4-methylpiperidin-4-ol;ethane.
What is the SMILES notation for 1-(4-chlorophenyl)-4-methylpiperidin-4-ol;ethane?
The canonical SMILES for 1-(4-chlorophenyl)-4-methylpiperidin-4-ol;ethane is CC.CC1(O)CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-4-methylpiperidin-4-ol;ethane?
The InChIKey is JMBDYJXRLNJLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO.C2H6/c1-12(15)6-8-14(9-7-12)11-4-2-10(13)3-5-11;1-2/h2-5,15H,6-9H2,1H3;1-2H3.
What are the key properties of 1-(4-chlorophenyl)-4-methylpiperidin-4-ol;ethane?
1-(4-chlorophenyl)-4-methylpiperidin-4-ol;ethane has a molecular weight of 255.79 g/mol, XLogP of 3.72, 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-methylpiperidin-4-ol;ethane is sourced from PubChem (CID 155585717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).