(3R)-1-[(2S)-2-phenylbutyl]-3-(1,2,4-triazol-1-yl)piperidine

C17H24N4 — CID 129358972

IUPAC(3R)-1-[(2S)-2-phenylbutyl]-3-(1,2,4-triazol-1-yl)piperidine
SMILESCC[C@H](CN1CCC[C@@H](n2cncn2)C1)c1ccccc1
InChIInChI=1S/C17H24N4/c1-2-15(16-7-4-3-5-8-16)11-20-10-6-9-17(12-20)21-14-18-13-19-21/h3-5,7-8,13-15,17H,2,6,9-12H2,1H3/t15-,17-/m1/s1
InChIKeyUTPMXSORHJOBCX-NVXWUHKLSA-N
MW284.41 g/mol
LogP3.11
Rot. Bonds5

About (3R)-1-[(2S)-2-phenylbutyl]-3-(1,2,4-triazol-1-yl)piperidine

(3R)-1-[(2S)-2-phenylbutyl]-3-(1,2,4-triazol-1-yl)piperidine (PubChem CID 129358972) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is (3R)-1-[(2S)-2-phenylbutyl]-3-(1,2,4-triazol-1-yl)piperidine.

Molecular Properties

Compound Name(3R)-1-[(2S)-2-phenylbutyl]-3-(1,2,4-triazol-1-yl)piperidine
PubChem CID129358972
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name(3R)-1-[(2S)-2-phenylbutyl]-3-(1,2,4-triazol-1-yl)piperidine
SMILESCC[C@H](CN1CCC[C@@H](n2cncn2)C1)c1ccccc1
InChIInChI=1S/C17H24N4/c1-2-15(16-7-4-3-5-8-16)11-20-10-6-9-17(12-20)21-14-18-13-19-21/h3-5,7-8,13-15,17H,2,6,9-12H2,1H3/t15-,17-/m1/s1
InChIKeyUTPMXSORHJOBCX-NVXWUHKLSA-N
XLogP3.11
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[(3R)-3-phenylbutyl]-3-(1,2,4-triazol-1-yl)piperidine
CID 129429411
2-ethyl-4-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]quinoline
CID 133401512
(3R)-1-[(3,4-dimethylphenyl)methyl]-3-(1,2,4-triazol-1-yl)piperidine
CID 124614437
1-[(2,3-dichlorophenyl)methyl]-3-(1,2,4-triazol-1-yl)piperidine
CID 122138465
2-phenyl-2-pyrrolidin-1-yl-1-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]ethanone
CID 71878582
benzyl N-[2-oxo-2-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]ethyl]carbamate
CID 95338572
(3-pentan-3-yl-1,2-oxazol-5-yl)-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 95776593
(1R)-1-phenyl-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanol
CID 95333284
(3S)-1-[(1S)-1-(4-bromophenyl)ethyl]-3-(1,2,4-triazol-1-yl)piperidine
CID 95623589
4-tert-butyl-2-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 138055860
1-[(1-cyclopropylimidazol-2-yl)methyl]-3-(1,2,4-triazol-1-yl)piperidine
CID 136568371
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N-ethyl-1-phenylethanamine
CID 63149781

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2S)-2-phenylbutyl]-3-(1,2,4-triazol-1-yl)piperidine?
The IUPAC name of (3R)-1-[(2S)-2-phenylbutyl]-3-(1,2,4-triazol-1-yl)piperidine (CID 129358972) is (3R)-1-[(2S)-2-phenylbutyl]-3-(1,2,4-triazol-1-yl)piperidine.
What is the SMILES notation for (3R)-1-[(2S)-2-phenylbutyl]-3-(1,2,4-triazol-1-yl)piperidine?
The canonical SMILES for (3R)-1-[(2S)-2-phenylbutyl]-3-(1,2,4-triazol-1-yl)piperidine is CC[C@H](CN1CCC[C@@H](n2cncn2)C1)c1ccccc1.
What is the InChIKey of (3R)-1-[(2S)-2-phenylbutyl]-3-(1,2,4-triazol-1-yl)piperidine?
The InChIKey is UTPMXSORHJOBCX-NVXWUHKLSA-N. The full InChI is InChI=1S/C17H24N4/c1-2-15(16-7-4-3-5-8-16)11-20-10-6-9-17(12-20)21-14-18-13-19-21/h3-5,7-8,13-15,17H,2,6,9-12H2,1H3/t15-,17-/m1/s1.
What are the key properties of (3R)-1-[(2S)-2-phenylbutyl]-3-(1,2,4-triazol-1-yl)piperidine?
(3R)-1-[(2S)-2-phenylbutyl]-3-(1,2,4-triazol-1-yl)piperidine has a molecular weight of 284.41 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2S)-2-phenylbutyl]-3-(1,2,4-triazol-1-yl)piperidine is sourced from PubChem (CID 129358972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).