4-(1,3-dioxolan-2-yl)-1-(5-pyrazol-1-ylpentyl)piperidine

C16H27N3O2 — CID 56550628

IUPAC4-(1,3-dioxolan-2-yl)-1-(5-pyrazol-1-ylpentyl)piperidine
SMILESc1cnn(CCCCCN2CCC(C3OCCO3)CC2)c1
InChIInChI=1S/C16H27N3O2/c1(3-9-19-10-4-7-17-19)2-8-18-11-5-15(6-12-18)16-20-13-14-21-16/h4,7,10,15-16H,1-3,5-6,8-9,11-14H2
InChIKeyMULPFRPLROCOFJ-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.14
Rot. Bonds7

About 4-(1,3-dioxolan-2-yl)-1-(5-pyrazol-1-ylpentyl)piperidine

4-(1,3-dioxolan-2-yl)-1-(5-pyrazol-1-ylpentyl)piperidine (PubChem CID 56550628) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-(1,3-dioxolan-2-yl)-1-(5-pyrazol-1-ylpentyl)piperidine.

Molecular Properties

Compound Name4-(1,3-dioxolan-2-yl)-1-(5-pyrazol-1-ylpentyl)piperidine
PubChem CID56550628
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name4-(1,3-dioxolan-2-yl)-1-(5-pyrazol-1-ylpentyl)piperidine
SMILESc1cnn(CCCCCN2CCC(C3OCCO3)CC2)c1
InChIInChI=1S/C16H27N3O2/c1(3-9-19-10-4-7-17-19)2-8-18-11-5-15(6-12-18)16-20-13-14-21-16/h4,7,10,15-16H,1-3,5-6,8-9,11-14H2
InChIKeyMULPFRPLROCOFJ-UHFFFAOYSA-N
XLogP2.14
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-methoxyphenyl)-1-(3-pyrazol-1-ylpropyl)piperidine
CID 91834526
3-propan-2-yl-6-[4-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]piperidin-1-yl]pyridazine
CID 155505349
2-methyl-4-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]pyrimidine
CID 91843194
1-[2-(oxan-4-yl)ethyl]pyrazole
CID 131203572
(5S)-5-methyl-2-[4-(5-pyrazol-1-ylpentyl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole
CID 96558661
2-methyl-1-[4-(4-methylpiperidin-1-yl)butyl]-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111904654
2-(2,3-difluorophenyl)-1-[(1S,6S)-3-(3-pyrazol-1-ylpropyl)-3,7-diazabicyclo[4.2.0]octan-7-yl]ethanone
CID 138807709
[(2R)-oxolan-2-yl]-[9-(3-pyrazol-1-ylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
CID 131923678
1-(3-pyrazol-1-ylpropyl)-3-pyrrolidin-1-ylpiperidine
CID 56718569
1-(1-methylimidazol-2-yl)-4-(4-pyrazol-1-ylbutyl)piperazine
CID 19751693
(2S)-2-(naphthalen-1-ylmethyl)-4-(3-pyrazol-1-ylpropyl)morpholine
CID 30852816
(3R)-1-(3-morpholin-4-ylpropyl)-6-oxo-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide
CID 25375014

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxolan-2-yl)-1-(5-pyrazol-1-ylpentyl)piperidine?
The IUPAC name of 4-(1,3-dioxolan-2-yl)-1-(5-pyrazol-1-ylpentyl)piperidine (CID 56550628) is 4-(1,3-dioxolan-2-yl)-1-(5-pyrazol-1-ylpentyl)piperidine.
What is the SMILES notation for 4-(1,3-dioxolan-2-yl)-1-(5-pyrazol-1-ylpentyl)piperidine?
The canonical SMILES for 4-(1,3-dioxolan-2-yl)-1-(5-pyrazol-1-ylpentyl)piperidine is c1cnn(CCCCCN2CCC(C3OCCO3)CC2)c1.
What is the InChIKey of 4-(1,3-dioxolan-2-yl)-1-(5-pyrazol-1-ylpentyl)piperidine?
The InChIKey is MULPFRPLROCOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1(3-9-19-10-4-7-17-19)2-8-18-11-5-15(6-12-18)16-20-13-14-21-16/h4,7,10,15-16H,1-3,5-6,8-9,11-14H2.
What are the key properties of 4-(1,3-dioxolan-2-yl)-1-(5-pyrazol-1-ylpentyl)piperidine?
4-(1,3-dioxolan-2-yl)-1-(5-pyrazol-1-ylpentyl)piperidine has a molecular weight of 293.41 g/mol, XLogP of 2.14, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxolan-2-yl)-1-(5-pyrazol-1-ylpentyl)piperidine is sourced from PubChem (CID 56550628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).