3-(3-chloro-5-methylphenyl)-1-methyl-4-(3-methylphenyl)piperidin-4-ol

C20H24ClNO — CID 142054708

IUPAC3-(3-chloro-5-methylphenyl)-1-methyl-4-(3-methylphenyl)piperidin-4-ol
SMILESCc1cc(Cl)cc(C2CN(C)CCC2(O)c2cccc(C)c2)c1
InChIInChI=1S/C20H24ClNO/c1-14-5-4-6-17(10-14)20(23)7-8-22(3)13-19(20)16-9-15(2)11-18(21)12-16/h4-6,9-12,19,23H,7-8,13H2,1-3H3
InChIKeyVRGQJKPQNGCWDD-UHFFFAOYSA-N
MW329.87 g/mol
LogP4.26
Rot. Bonds2

About 3-(3-chloro-5-methylphenyl)-1-methyl-4-(3-methylphenyl)piperidin-4-ol

3-(3-chloro-5-methylphenyl)-1-methyl-4-(3-methylphenyl)piperidin-4-ol (PubChem CID 142054708) has the molecular formula C20H24ClNO and a molecular weight of 329.87 g/mol. Its IUPAC name is 3-(3-chloro-5-methylphenyl)-1-methyl-4-(3-methylphenyl)piperidin-4-ol.

Molecular Properties

Compound Name3-(3-chloro-5-methylphenyl)-1-methyl-4-(3-methylphenyl)piperidin-4-ol
PubChem CID142054708
Molecular FormulaC20H24ClNO
Molecular Weight329.87 g/mol
Exact Mass329.15
IUPAC Name3-(3-chloro-5-methylphenyl)-1-methyl-4-(3-methylphenyl)piperidin-4-ol
SMILESCc1cc(Cl)cc(C2CN(C)CCC2(O)c2cccc(C)c2)c1
InChIInChI=1S/C20H24ClNO/c1-14-5-4-6-17(10-14)20(23)7-8-22(3)13-19(20)16-9-15(2)11-18(21)12-16/h4-6,9-12,19,23H,7-8,13H2,1-3H3
InChIKeyVRGQJKPQNGCWDD-UHFFFAOYSA-N
XLogP4.26
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.87
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4S)-1,3-dimethyl-4-(3-methylphenyl)piperidin-4-ol
CID 59263185
(3S,4S)-1,4-dimethyl-3-(3-methylphenyl)pyrrolidin-3-ol
CID 125426712
4-(4-chlorophenyl)-3-(2-fluorophenyl)-1-methylpiperidin-4-ol
CID 13469635
(1R,8aR)-1-(3-methylphenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol
CID 27234418
1-benzyl-3-methyl-4-(3-methylphenyl)piperidin-4-ol
CID 19095619
4-(3-chlorophenyl)-1-methylpiperidin-4-ol;ethane
CID 144802355
2-methyl-1-(3-methylphenyl)cyclopropan-1-ol
CID 79332542
3-(2-fluorophenyl)-1-methyl-4-phenylpiperidin-4-ol
CID 13469603
(3S,4S)-3-(2-fluorophenyl)-1-methyl-4-phenylpiperidin-4-ol
CID 54168039
(Z)-but-2-enedioic acid;(3S,4R)-3-(2-fluorophenyl)-4-(3-fluorophenyl)-1-methylpiperidin-4-ol
CID 70455582
2,7-dimethyl-5-(3-methylphenyl)-3,4,4a,9b-tetrahydro-1H-indeno[1,2-c]pyridin-5-ol
CID 163453306
trans-(1S,2R)-2-methyl-1-(3-methylphenyl)cyclopentan-1-ol
CID 124509204

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-5-methylphenyl)-1-methyl-4-(3-methylphenyl)piperidin-4-ol?
The IUPAC name of 3-(3-chloro-5-methylphenyl)-1-methyl-4-(3-methylphenyl)piperidin-4-ol (CID 142054708) is 3-(3-chloro-5-methylphenyl)-1-methyl-4-(3-methylphenyl)piperidin-4-ol.
What is the SMILES notation for 3-(3-chloro-5-methylphenyl)-1-methyl-4-(3-methylphenyl)piperidin-4-ol?
The canonical SMILES for 3-(3-chloro-5-methylphenyl)-1-methyl-4-(3-methylphenyl)piperidin-4-ol is Cc1cc(Cl)cc(C2CN(C)CCC2(O)c2cccc(C)c2)c1.
What is the InChIKey of 3-(3-chloro-5-methylphenyl)-1-methyl-4-(3-methylphenyl)piperidin-4-ol?
The InChIKey is VRGQJKPQNGCWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO/c1-14-5-4-6-17(10-14)20(23)7-8-22(3)13-19(20)16-9-15(2)11-18(21)12-16/h4-6,9-12,19,23H,7-8,13H2,1-3H3.
What are the key properties of 3-(3-chloro-5-methylphenyl)-1-methyl-4-(3-methylphenyl)piperidin-4-ol?
3-(3-chloro-5-methylphenyl)-1-methyl-4-(3-methylphenyl)piperidin-4-ol has a molecular weight of 329.87 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-5-methylphenyl)-1-methyl-4-(3-methylphenyl)piperidin-4-ol is sourced from PubChem (CID 142054708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).