[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(1-cycloheptyltriazol-4-yl)methanone

C21H27ClN4O2 — CID 42357046

IUPAC[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(1-cycloheptyltriazol-4-yl)methanone
SMILESO=C(c1cn(C2CCCCCC2)nn1)N1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H27ClN4O2/c22-17-9-7-16(8-10-17)21(28)11-13-25(14-12-21)20(27)19-15-26(24-23-19)18-5-3-1-2-4-6-18/h7-10,15,18,28H,1-6,11-14H2
InChIKeyBFIQZFWGNBJIPD-UHFFFAOYSA-N
MW402.93 g/mol
LogP3.95
Rot. Bonds3

About [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(1-cycloheptyltriazol-4-yl)methanone

[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(1-cycloheptyltriazol-4-yl)methanone (PubChem CID 42357046) has the molecular formula C21H27ClN4O2 and a molecular weight of 402.93 g/mol. Its IUPAC name is [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(1-cycloheptyltriazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(1-cycloheptyltriazol-4-yl)methanone
PubChem CID42357046
Molecular FormulaC21H27ClN4O2
Molecular Weight402.93 g/mol
Exact Mass402.18
IUPAC Name[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(1-cycloheptyltriazol-4-yl)methanone
SMILESO=C(c1cn(C2CCCCCC2)nn1)N1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H27ClN4O2/c22-17-9-7-16(8-10-17)21(28)11-13-25(14-12-21)20(27)19-15-26(24-23-19)18-5-3-1-2-4-6-18/h7-10,15,18,28H,1-6,11-14H2
InChIKeyBFIQZFWGNBJIPD-UHFFFAOYSA-N
XLogP3.95
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.93
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-cyclohexyltriazol-4-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 56912845
[1-(1-cycloheptylpiperidin-4-yl)triazol-4-yl]-piperidin-1-ylmethanone
CID 26318869
[4-(4-chlorophenyl)piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119843532
[4-(4-chlorophenyl)piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride
CID 119843531
(7-chloro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(1-cyclohexyltriazol-4-yl)methanone
CID 42510330
(1-cyclohexyltriazol-4-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 45191024
ethyl 4-(1-cyclohexyltriazole-4-carbonyl)piperazine-1-carboxylate
CID 42342593
[1-(1-cyclopentylpiperidin-3-yl)triazol-4-yl]-piperidin-1-ylmethanone
CID 45215437
(1-cyclohexyltriazol-4-yl)-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]methanone
CID 25381434
[1-[1-[(5-chloro-2-hydroxyphenyl)methyl]piperidin-4-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone
CID 42398197
N-[1-[1-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]azetidin-3-yl]-1-cyclohexyltriazole-4-carboxamide
CID 166343146
1-(4-aminocyclohexyl)-N-[1-(4-chlorophenyl)cyclobutyl]triazole-4-carboxamide
CID 77087669

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(1-cycloheptyltriazol-4-yl)methanone?
The IUPAC name of [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(1-cycloheptyltriazol-4-yl)methanone (CID 42357046) is [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(1-cycloheptyltriazol-4-yl)methanone.
What is the SMILES notation for [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(1-cycloheptyltriazol-4-yl)methanone?
The canonical SMILES for [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(1-cycloheptyltriazol-4-yl)methanone is O=C(c1cn(C2CCCCCC2)nn1)N1CCC(O)(c2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(1-cycloheptyltriazol-4-yl)methanone?
The InChIKey is BFIQZFWGNBJIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN4O2/c22-17-9-7-16(8-10-17)21(28)11-13-25(14-12-21)20(27)19-15-26(24-23-19)18-5-3-1-2-4-6-18/h7-10,15,18,28H,1-6,11-14H2.
What are the key properties of [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(1-cycloheptyltriazol-4-yl)methanone?
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(1-cycloheptyltriazol-4-yl)methanone has a molecular weight of 402.93 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(1-cycloheptyltriazol-4-yl)methanone is sourced from PubChem (CID 42357046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).