(1R)-1-(2-chlorophenyl)-2-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]ethanol

C18H25ClN4O — CID 95307790

IUPAC(1R)-1-(2-chlorophenyl)-2-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]ethanol
SMILESCc1nc(C)n(C[C@H]2CCCCN2C[C@H](O)c2ccccc2Cl)n1
InChIInChI=1S/C18H25ClN4O/c1-13-20-14(2)23(21-13)11-15-7-5-6-10-22(15)12-18(24)16-8-3-4-9-17(16)19/h3-4,8-9,15,18,24H,5-7,10-12H2,1-2H3/t15-,18+/m1/s1
InChIKeyLOISZDYOBKZLRK-QAPCUYQASA-N
MW348.88 g/mol
LogP3.14
Rot. Bonds5

About (1R)-1-(2-chlorophenyl)-2-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]ethanol

(1R)-1-(2-chlorophenyl)-2-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]ethanol (PubChem CID 95307790) has the molecular formula C18H25ClN4O and a molecular weight of 348.88 g/mol. Its IUPAC name is (1R)-1-(2-chlorophenyl)-2-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-(2-chlorophenyl)-2-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]ethanol
PubChem CID95307790
Molecular FormulaC18H25ClN4O
Molecular Weight348.88 g/mol
Exact Mass348.17
IUPAC Name(1R)-1-(2-chlorophenyl)-2-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]ethanol
SMILESCc1nc(C)n(C[C@H]2CCCCN2C[C@H](O)c2ccccc2Cl)n1
InChIInChI=1S/C18H25ClN4O/c1-13-20-14(2)23(21-13)11-15-7-5-6-10-22(15)12-18(24)16-8-3-4-9-17(16)19/h3-4,8-9,15,18,24H,5-7,10-12H2,1-2H3/t15-,18+/m1/s1
InChIKeyLOISZDYOBKZLRK-QAPCUYQASA-N
XLogP3.14
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.88
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R)-1-(2-chlorophenyl)-2-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]ethanol with MolForge

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Related Compounds

(2S)-1-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 100842266
(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-(2-methylprop-2-enyl)piperidine
CID 95305553
2-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-benzoxazole
CID 95978858
4-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]butanenitrile
CID 95352436
(2S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine
CID 95336540
(1R)-1-(2-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanol
CID 129448916
1-(2-fluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanol
CID 110892142
5-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 95308402
5-[[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 95305610
(1S)-1-(2-chlorophenyl)-2-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanol
CID 100842127
3,5-dimethyl-1-[[(2S)-1-(2-thiophen-2-ylethyl)pyrrolidin-2-yl]methyl]-1,2,4-triazole
CID 95305451
(1S)-1-(2-bromophenyl)-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanol
CID 97326124

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-chlorophenyl)-2-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]ethanol?
The IUPAC name of (1R)-1-(2-chlorophenyl)-2-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]ethanol (CID 95307790) is (1R)-1-(2-chlorophenyl)-2-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]ethanol.
What is the SMILES notation for (1R)-1-(2-chlorophenyl)-2-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]ethanol?
The canonical SMILES for (1R)-1-(2-chlorophenyl)-2-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]ethanol is Cc1nc(C)n(C[C@H]2CCCCN2C[C@H](O)c2ccccc2Cl)n1.
What is the InChIKey of (1R)-1-(2-chlorophenyl)-2-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]ethanol?
The InChIKey is LOISZDYOBKZLRK-QAPCUYQASA-N. The full InChI is InChI=1S/C18H25ClN4O/c1-13-20-14(2)23(21-13)11-15-7-5-6-10-22(15)12-18(24)16-8-3-4-9-17(16)19/h3-4,8-9,15,18,24H,5-7,10-12H2,1-2H3/t15-,18+/m1/s1.
What are the key properties of (1R)-1-(2-chlorophenyl)-2-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]ethanol?
(1R)-1-(2-chlorophenyl)-2-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]ethanol has a molecular weight of 348.88 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-chlorophenyl)-2-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]ethanol is sourced from PubChem (CID 95307790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).