[3-[4-(3-chlorophenyl)phenyl]-1-pyrimidin-2-ylpiperidin-4-yl]methanol

C22H22ClN3O — CID 68902868

IUPAC[3-[4-(3-chlorophenyl)phenyl]-1-pyrimidin-2-ylpiperidin-4-yl]methanol
SMILESOCC1CCN(c2ncccn2)CC1c1ccc(-c2cccc(Cl)c2)cc1
InChIInChI=1S/C22H22ClN3O/c23-20-4-1-3-18(13-20)16-5-7-17(8-6-16)21-14-26(12-9-19(21)15-27)22-24-10-2-11-25-22/h1-8,10-11,13,19,21,27H,9,12,14-15H2
InChIKeyOBLNQDOHEPNOSW-UHFFFAOYSA-N
MW379.89 g/mol
LogP4.40
Rot. Bonds4

About [3-[4-(3-chlorophenyl)phenyl]-1-pyrimidin-2-ylpiperidin-4-yl]methanol

[3-[4-(3-chlorophenyl)phenyl]-1-pyrimidin-2-ylpiperidin-4-yl]methanol (PubChem CID 68902868) has the molecular formula C22H22ClN3O and a molecular weight of 379.89 g/mol. Its IUPAC name is [3-[4-(3-chlorophenyl)phenyl]-1-pyrimidin-2-ylpiperidin-4-yl]methanol.

Molecular Properties

Compound Name[3-[4-(3-chlorophenyl)phenyl]-1-pyrimidin-2-ylpiperidin-4-yl]methanol
PubChem CID68902868
Molecular FormulaC22H22ClN3O
Molecular Weight379.89 g/mol
Exact Mass379.15
IUPAC Name[3-[4-(3-chlorophenyl)phenyl]-1-pyrimidin-2-ylpiperidin-4-yl]methanol
SMILESOCC1CCN(c2ncccn2)CC1c1ccc(-c2cccc(Cl)c2)cc1
InChIInChI=1S/C22H22ClN3O/c23-20-4-1-3-18(13-20)16-5-7-17(8-6-16)21-14-26(12-9-19(21)15-27)22-24-10-2-11-25-22/h1-8,10-11,13,19,21,27H,9,12,14-15H2
InChIKeyOBLNQDOHEPNOSW-UHFFFAOYSA-N
XLogP4.40
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-Benzyl-1-{[2-(4-chlorophenyl)pyrimidin-5-yl]methyl}piperidin-4-yl)methanol
CID 16192404
(3-(3-Chlorobenzyl)-1-{[2-(3-methylphenyl)pyrimidin-5-yl]methyl}piperidin-3-yl)methanol
CID 16187379
{8-[(5-Chloro-2-fluorophenyl)methyl]-2-(pyrimidin-2-YL)-2,8-diazaspiro[4.5]decan-4-YL}methanol
CID 91921970
[1-(4-Aminopyrimidin-2-yl)-3-(3-chlorobenzyl)piperidin-3-yl]methanol
CID 56739522
[3-(3-Chlorobenzyl)-1-(2,5-dimethylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 56757666
[3-(3-Chlorobenzyl)-1-pyrimidin-2-ylpiperidin-3-yl]methanol
CID 56867954
[8-[(3-Chloro-2-fluorophenyl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol
CID 91910459
(3S*,4S*)-4-(4-fluorophenyl)-1-(4-pyrimidin-5-ylbenzyl)piperidin-3-ol
CID 50964616
(1-Pyrimidin-2-ylpiperidin-4-yl)-[4-[4-(trifluoromethyl)phenyl]phenyl]methanol
CID 11954416
(R)-(1-pyrimidin-2-ylpiperidin-4-yl)-[4-[4-(trifluoromethyl)phenyl]phenyl]methanol
CID 24898409
(R)-[4-(5-chloro-2-fluorophenyl)phenyl]-(8-pyrimidin-2-yl-8-azabicyclo[3.2.1]octan-3-yl)methanol
CID 24899779
(R)-[4-(2,4-difluorophenyl)-2-fluorophenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanol
CID 24899780

Frequently Asked Questions

What is the IUPAC name of [3-[4-(3-chlorophenyl)phenyl]-1-pyrimidin-2-ylpiperidin-4-yl]methanol?
The IUPAC name of [3-[4-(3-chlorophenyl)phenyl]-1-pyrimidin-2-ylpiperidin-4-yl]methanol (CID 68902868) is [3-[4-(3-chlorophenyl)phenyl]-1-pyrimidin-2-ylpiperidin-4-yl]methanol.
What is the SMILES notation for [3-[4-(3-chlorophenyl)phenyl]-1-pyrimidin-2-ylpiperidin-4-yl]methanol?
The canonical SMILES for [3-[4-(3-chlorophenyl)phenyl]-1-pyrimidin-2-ylpiperidin-4-yl]methanol is OCC1CCN(c2ncccn2)CC1c1ccc(-c2cccc(Cl)c2)cc1.
What is the InChIKey of [3-[4-(3-chlorophenyl)phenyl]-1-pyrimidin-2-ylpiperidin-4-yl]methanol?
The InChIKey is OBLNQDOHEPNOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O/c23-20-4-1-3-18(13-20)16-5-7-17(8-6-16)21-14-26(12-9-19(21)15-27)22-24-10-2-11-25-22/h1-8,10-11,13,19,21,27H,9,12,14-15H2.
What are the key properties of [3-[4-(3-chlorophenyl)phenyl]-1-pyrimidin-2-ylpiperidin-4-yl]methanol?
[3-[4-(3-chlorophenyl)phenyl]-1-pyrimidin-2-ylpiperidin-4-yl]methanol has a molecular weight of 379.89 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(3-chlorophenyl)phenyl]-1-pyrimidin-2-ylpiperidin-4-yl]methanol is sourced from PubChem (CID 68902868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).