4-(4-cyclopentyltriazol-1-yl)-1-(2-phenylpropyl)piperidine

C21H30N4 — CID 46999446

IUPAC4-(4-cyclopentyltriazol-1-yl)-1-(2-phenylpropyl)piperidine
SMILESCC(CN1CCC(n2cc(C3CCCC3)nn2)CC1)c1ccccc1
InChIInChI=1S/C21H30N4/c1-17(18-7-3-2-4-8-18)15-24-13-11-20(12-14-24)25-16-21(22-23-25)19-9-5-6-10-19/h2-4,7-8,16-17,19-20H,5-6,9-15H2,1H3
InChIKeyGYFUQBVSSDYVQI-UHFFFAOYSA-N
MW338.50 g/mol
LogP4.38
Rot. Bonds5

About 4-(4-cyclopentyltriazol-1-yl)-1-(2-phenylpropyl)piperidine

4-(4-cyclopentyltriazol-1-yl)-1-(2-phenylpropyl)piperidine (PubChem CID 46999446) has the molecular formula C21H30N4 and a molecular weight of 338.50 g/mol. Its IUPAC name is 4-(4-cyclopentyltriazol-1-yl)-1-(2-phenylpropyl)piperidine.

Molecular Properties

Compound Name4-(4-cyclopentyltriazol-1-yl)-1-(2-phenylpropyl)piperidine
PubChem CID46999446
Molecular FormulaC21H30N4
Molecular Weight338.50 g/mol
Exact Mass338.25
IUPAC Name4-(4-cyclopentyltriazol-1-yl)-1-(2-phenylpropyl)piperidine
SMILESCC(CN1CCC(n2cc(C3CCCC3)nn2)CC1)c1ccccc1
InChIInChI=1S/C21H30N4/c1-17(18-7-3-2-4-8-18)15-24-13-11-20(12-14-24)25-16-21(22-23-25)19-9-5-6-10-19/h2-4,7-8,16-17,19-20H,5-6,9-15H2,1H3
InChIKeyGYFUQBVSSDYVQI-UHFFFAOYSA-N
XLogP4.38
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-cyclopropyltriazol-1-yl)-1-(2-methylbutyl)piperidine
CID 46993628
1,4-dicyclohexyltriazole
CID 46204135
2-[[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]methyl]-1-(2-methylpropyl)benzimidazole
CID 46991593
(3S)-1-[(2R)-2-phenylpropyl]-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine
CID 98760298
2-[1-(2-phenylpropyl)piperidin-4-yl]oxyacetic acid
CID 65066046
2-[1-(2-phenylpropyl)piperidin-4-yl]-1H-benzimidazole
CID 10087324
3-methyl-1-(2-phenylpropyl)piperidin-4-amine
CID 79879108
N-methyl-1-(2-phenylpropyl)piperidin-3-amine
CID 55086340
4-(4-cyclopropyltriazol-1-yl)-1-(furan-3-ylmethyl)piperidine
CID 31125414
(3S)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]-1-[(2R)-2-phenylpropyl]piperidine
CID 98575835
(3R)-1-[(2S)-2-phenylpropyl]pyrrolidine-3-carboxylic acid
CID 129413679
[1-[(2R)-2-phenylpropyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 883905

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopentyltriazol-1-yl)-1-(2-phenylpropyl)piperidine?
The IUPAC name of 4-(4-cyclopentyltriazol-1-yl)-1-(2-phenylpropyl)piperidine (CID 46999446) is 4-(4-cyclopentyltriazol-1-yl)-1-(2-phenylpropyl)piperidine.
What is the SMILES notation for 4-(4-cyclopentyltriazol-1-yl)-1-(2-phenylpropyl)piperidine?
The canonical SMILES for 4-(4-cyclopentyltriazol-1-yl)-1-(2-phenylpropyl)piperidine is CC(CN1CCC(n2cc(C3CCCC3)nn2)CC1)c1ccccc1.
What is the InChIKey of 4-(4-cyclopentyltriazol-1-yl)-1-(2-phenylpropyl)piperidine?
The InChIKey is GYFUQBVSSDYVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4/c1-17(18-7-3-2-4-8-18)15-24-13-11-20(12-14-24)25-16-21(22-23-25)19-9-5-6-10-19/h2-4,7-8,16-17,19-20H,5-6,9-15H2,1H3.
What are the key properties of 4-(4-cyclopentyltriazol-1-yl)-1-(2-phenylpropyl)piperidine?
4-(4-cyclopentyltriazol-1-yl)-1-(2-phenylpropyl)piperidine has a molecular weight of 338.50 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopentyltriazol-1-yl)-1-(2-phenylpropyl)piperidine is sourced from PubChem (CID 46999446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).