1-benzyl-4-(5-phenylpyrazol-1-yl)piperidine

C21H23N3 — CID 21219154

IUPAC1-benzyl-4-(5-phenylpyrazol-1-yl)piperidine
SMILESc1ccc(CN2CCC(n3nccc3-c3ccccc3)CC2)cc1
InChIInChI=1S/C21H23N3/c1-3-7-18(8-4-1)17-23-15-12-20(13-16-23)24-21(11-14-22-24)19-9-5-2-6-10-19/h1-11,14,20H,12-13,15-17H2
InChIKeyPRJNFNOLHGROQO-UHFFFAOYSA-N
MW317.44 g/mol
LogP4.39
Rot. Bonds4

About 1-benzyl-4-(5-phenylpyrazol-1-yl)piperidine

1-benzyl-4-(5-phenylpyrazol-1-yl)piperidine (PubChem CID 21219154) has the molecular formula C21H23N3 and a molecular weight of 317.44 g/mol. Its IUPAC name is 1-benzyl-4-(5-phenylpyrazol-1-yl)piperidine.

Molecular Properties

Compound Name1-benzyl-4-(5-phenylpyrazol-1-yl)piperidine
PubChem CID21219154
Molecular FormulaC21H23N3
Molecular Weight317.44 g/mol
Exact Mass317.19
IUPAC Name1-benzyl-4-(5-phenylpyrazol-1-yl)piperidine
SMILESc1ccc(CN2CCC(n3nccc3-c3ccccc3)CC2)cc1
InChIInChI=1S/C21H23N3/c1-3-7-18(8-4-1)17-23-15-12-20(13-16-23)24-21(11-14-22-24)19-9-5-2-6-10-19/h1-11,14,20H,12-13,15-17H2
InChIKeyPRJNFNOLHGROQO-UHFFFAOYSA-N
XLogP4.39
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzylpiperidin-4-yl)azocane
CID 2846402
(3R)-N-[2-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 42466671
N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-2-methoxybenzamide
CID 25450557
N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-3-phenoxypropanamide
CID 24817380
N-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 42211407
N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-3-fluorobenzamide
CID 42302028
1-benzyl-4-(1,3-dioxolan-2-yl)piperidine
CID 72714001
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzyl-4-(3,5-diethylpyrazol-1-yl)piperidine;N,N-diethylethanamine
CID 69192957
1-(1-benzylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 141103907
4-(2-adamantyl)-1-benzylpiperidine
CID 70791147
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CID 67272846

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(5-phenylpyrazol-1-yl)piperidine?
The IUPAC name of 1-benzyl-4-(5-phenylpyrazol-1-yl)piperidine (CID 21219154) is 1-benzyl-4-(5-phenylpyrazol-1-yl)piperidine.
What is the SMILES notation for 1-benzyl-4-(5-phenylpyrazol-1-yl)piperidine?
The canonical SMILES for 1-benzyl-4-(5-phenylpyrazol-1-yl)piperidine is c1ccc(CN2CCC(n3nccc3-c3ccccc3)CC2)cc1.
What is the InChIKey of 1-benzyl-4-(5-phenylpyrazol-1-yl)piperidine?
The InChIKey is PRJNFNOLHGROQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3/c1-3-7-18(8-4-1)17-23-15-12-20(13-16-23)24-21(11-14-22-24)19-9-5-2-6-10-19/h1-11,14,20H,12-13,15-17H2.
What are the key properties of 1-benzyl-4-(5-phenylpyrazol-1-yl)piperidine?
1-benzyl-4-(5-phenylpyrazol-1-yl)piperidine has a molecular weight of 317.44 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(5-phenylpyrazol-1-yl)piperidine is sourced from PubChem (CID 21219154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).