1-(3-phenylbutyl)-3-(1H-pyrazol-4-yl)piperidine

C18H25N3 — CID 86806813

IUPAC1-(3-phenylbutyl)-3-(1H-pyrazol-4-yl)piperidine
SMILESCC(CCN1CCCC(c2cn[nH]c2)C1)c1ccccc1
InChIInChI=1S/C18H25N3/c1-15(16-6-3-2-4-7-16)9-11-21-10-5-8-17(14-21)18-12-19-20-13-18/h2-4,6-7,12-13,15,17H,5,8-11,14H2,1H3,(H,19,20)
InChIKeySSIIDAABHMNGBG-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.78
Rot. Bonds5

About 1-(3-phenylbutyl)-3-(1H-pyrazol-4-yl)piperidine

1-(3-phenylbutyl)-3-(1H-pyrazol-4-yl)piperidine (PubChem CID 86806813) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-(3-phenylbutyl)-3-(1H-pyrazol-4-yl)piperidine.

Molecular Properties

Compound Name1-(3-phenylbutyl)-3-(1H-pyrazol-4-yl)piperidine
PubChem CID86806813
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name1-(3-phenylbutyl)-3-(1H-pyrazol-4-yl)piperidine
SMILESCC(CCN1CCCC(c2cn[nH]c2)C1)c1ccccc1
InChIInChI=1S/C18H25N3/c1-15(16-6-3-2-4-7-16)9-11-21-10-5-8-17(14-21)18-12-19-20-13-18/h2-4,6-7,12-13,15,17H,5,8-11,14H2,1H3,(H,19,20)
InChIKeySSIIDAABHMNGBG-UHFFFAOYSA-N
XLogP3.78
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[(3R)-3-phenylbutyl]piperidin-3-amine
CID 129366524
(3R)-1-[(2-methyl-3-phenylimidazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)piperidine
CID 97158539
4-phenyl-1-(3-phenylbutyl)piperidine
CID 54520789
(3R)-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]-3-(1H-pyrazol-4-yl)piperidine
CID 97158561
(3S)-1-[(2R)-2-phenylpropyl]-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine
CID 98760298
2-(3-phenylbutyl)-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79917318
(3R)-1-[(3R)-3-phenylbutyl]-3-(1,2,4-triazol-1-yl)piperidine
CID 129429411
3-methyl-1-(3-phenylbutyl)-1,5-diazocane
CID 62987533
3-phenyl-1-propylpiperidine
CID 12937946
(3S)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]-1-[(2R)-2-phenylpropyl]piperidine
CID 98575835
4-(3-phenylbutyl)-1H-pyrazole
CID 138612151
1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-3-(1H-pyrazol-4-yl)piperidine
CID 86771121

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylbutyl)-3-(1H-pyrazol-4-yl)piperidine?
The IUPAC name of 1-(3-phenylbutyl)-3-(1H-pyrazol-4-yl)piperidine (CID 86806813) is 1-(3-phenylbutyl)-3-(1H-pyrazol-4-yl)piperidine.
What is the SMILES notation for 1-(3-phenylbutyl)-3-(1H-pyrazol-4-yl)piperidine?
The canonical SMILES for 1-(3-phenylbutyl)-3-(1H-pyrazol-4-yl)piperidine is CC(CCN1CCCC(c2cn[nH]c2)C1)c1ccccc1.
What is the InChIKey of 1-(3-phenylbutyl)-3-(1H-pyrazol-4-yl)piperidine?
The InChIKey is SSIIDAABHMNGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-15(16-6-3-2-4-7-16)9-11-21-10-5-8-17(14-21)18-12-19-20-13-18/h2-4,6-7,12-13,15,17H,5,8-11,14H2,1H3,(H,19,20).
What are the key properties of 1-(3-phenylbutyl)-3-(1H-pyrazol-4-yl)piperidine?
1-(3-phenylbutyl)-3-(1H-pyrazol-4-yl)piperidine has a molecular weight of 283.42 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylbutyl)-3-(1H-pyrazol-4-yl)piperidine is sourced from PubChem (CID 86806813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).