[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[2-(5-methyltetrazol-1-yl)phenyl]methanone

C20H20ClN5O2 — CID 56762110

IUPAC[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[2-(5-methyltetrazol-1-yl)phenyl]methanone
SMILESCc1nnnn1-c1ccccc1C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H20ClN5O2/c1-14-22-23-24-26(14)18-5-3-2-4-17(18)19(27)25-12-10-20(28,11-13-25)15-6-8-16(21)9-7-15/h2-9,28H,10-13H2,1H3
InChIKeyVGEWMWATVHIIAS-UHFFFAOYSA-N
MW397.87 g/mol
LogP2.75
Rot. Bonds3

About [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[2-(5-methyltetrazol-1-yl)phenyl]methanone

[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[2-(5-methyltetrazol-1-yl)phenyl]methanone (PubChem CID 56762110) has the molecular formula C20H20ClN5O2 and a molecular weight of 397.87 g/mol. Its IUPAC name is [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[2-(5-methyltetrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[2-(5-methyltetrazol-1-yl)phenyl]methanone
PubChem CID56762110
Molecular FormulaC20H20ClN5O2
Molecular Weight397.87 g/mol
Exact Mass397.13
IUPAC Name[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[2-(5-methyltetrazol-1-yl)phenyl]methanone
SMILESCc1nnnn1-c1ccccc1C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H20ClN5O2/c1-14-22-23-24-26(14)18-5-3-2-4-17(18)19(27)25-12-10-20(28,11-13-25)15-6-8-16(21)9-7-15/h2-9,28H,10-13H2,1H3
InChIKeyVGEWMWATVHIIAS-UHFFFAOYSA-N
XLogP2.75
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.87
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-aminophenyl)-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methanone
CID 851820
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone
CID 2815864
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone
CID 51053358
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 71706126
(5-bromo-2-pyrrol-1-ylphenyl)-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methanone
CID 39334772
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
CID 71704467
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(2,3-dimethyl-1,4-dihydroquinoxalin-6-yl)methanone
CID 91901458
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[2-methyl-5-[[2-(pyridin-2-ylamino)-2,5-dihydro-1,3-thiazol-5-yl]sulfanyl]phenyl]methanone
CID 91096964
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(1-cycloheptyltriazol-4-yl)methanone
CID 42357046
[4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(2-fluorophenyl)methanone
CID 30936606
N-(1-hydroxy-3-methylbutan-2-yl)-2-(5-methyltetrazol-1-yl)benzamide
CID 91823247
2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-[4-(4-fluorophenyl)-4-hydroxypiperidine-1-carbonyl]pyrazol-4-yl]acetamide
CID 25024104

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[2-(5-methyltetrazol-1-yl)phenyl]methanone?
The IUPAC name of [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[2-(5-methyltetrazol-1-yl)phenyl]methanone (CID 56762110) is [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[2-(5-methyltetrazol-1-yl)phenyl]methanone.
What is the SMILES notation for [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[2-(5-methyltetrazol-1-yl)phenyl]methanone?
The canonical SMILES for [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[2-(5-methyltetrazol-1-yl)phenyl]methanone is Cc1nnnn1-c1ccccc1C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[2-(5-methyltetrazol-1-yl)phenyl]methanone?
The InChIKey is VGEWMWATVHIIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O2/c1-14-22-23-24-26(14)18-5-3-2-4-17(18)19(27)25-12-10-20(28,11-13-25)15-6-8-16(21)9-7-15/h2-9,28H,10-13H2,1H3.
What are the key properties of [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[2-(5-methyltetrazol-1-yl)phenyl]methanone?
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[2-(5-methyltetrazol-1-yl)phenyl]methanone has a molecular weight of 397.87 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[2-(5-methyltetrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 56762110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).