1-(5-chloro-2-methylphenyl)-2,2-dimethylpiperidin-3-ol

C14H20ClNO — CID 117019064

IUPAC1-(5-chloro-2-methylphenyl)-2,2-dimethylpiperidin-3-ol
SMILESCc1ccc(Cl)cc1N1CCCC(O)C1(C)C
InChIInChI=1S/C14H20ClNO/c1-10-6-7-11(15)9-12(10)16-8-4-5-13(17)14(16,2)3/h6-7,9,13,17H,4-5,8H2,1-3H3
InChIKeyWJODIHQZVGNREI-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.39
Rot. Bonds1

About 1-(5-chloro-2-methylphenyl)-2,2-dimethylpiperidin-3-ol

1-(5-chloro-2-methylphenyl)-2,2-dimethylpiperidin-3-ol (PubChem CID 117019064) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-2,2-dimethylpiperidin-3-ol.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-2,2-dimethylpiperidin-3-ol
PubChem CID117019064
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name1-(5-chloro-2-methylphenyl)-2,2-dimethylpiperidin-3-ol
SMILESCc1ccc(Cl)cc1N1CCCC(O)C1(C)C
InChIInChI=1S/C14H20ClNO/c1-10-6-7-11(15)9-12(10)16-8-4-5-13(17)14(16,2)3/h6-7,9,13,17H,4-5,8H2,1-3H3
InChIKeyWJODIHQZVGNREI-UHFFFAOYSA-N
XLogP3.39
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4,6-dimethylphenyl)-2,2-dimethylpiperidin-3-ol
CID 117019068
1-(3-chlorophenyl)-2,2-dimethylpyrrolidin-3-ol
CID 117016836
4-(5-chloro-2-methylphenyl)-5,5-dimethylpiperazin-2-one
CID 117024064
[1-(4-chloro-2-methylphenyl)-2,2-dimethylpyrrolidin-3-yl]methanamine
CID 117017658
2-(5-chloro-2-methylphenyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939589
8-(5-chloro-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 55105946
1-(5-chloro-2-methylphenyl)-3,3-difluoropyrrolidine
CID 117007615
1-(5-chloro-2-methylphenyl)-4-(hydroxymethyl)-5,5-dimethylpyrrolidin-2-one
CID 117023042
1-(5-chloro-2-methylphenyl)-N-methylpyrrolidin-3-amine
CID 60862449
(1R,2R,6S,7R)-4-(5-chloro-2-methylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98070334
1-(2,5-dimethylphenyl)-N,2,2-trimethylpyrrolidin-3-amine
CID 117017096
1-(5-chloro-2-methylphenyl)-3,3-difluoropiperidine
CID 117007699

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-2,2-dimethylpiperidin-3-ol?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-2,2-dimethylpiperidin-3-ol (CID 117019064) is 1-(5-chloro-2-methylphenyl)-2,2-dimethylpiperidin-3-ol.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-2,2-dimethylpiperidin-3-ol?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-2,2-dimethylpiperidin-3-ol is Cc1ccc(Cl)cc1N1CCCC(O)C1(C)C.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-2,2-dimethylpiperidin-3-ol?
The InChIKey is WJODIHQZVGNREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-10-6-7-11(15)9-12(10)16-8-4-5-13(17)14(16,2)3/h6-7,9,13,17H,4-5,8H2,1-3H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)-2,2-dimethylpiperidin-3-ol?
1-(5-chloro-2-methylphenyl)-2,2-dimethylpiperidin-3-ol has a molecular weight of 253.77 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-2,2-dimethylpiperidin-3-ol is sourced from PubChem (CID 117019064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).