2-(1,3-dioxolan-2-yl)-1-(3-phenylpropyl)piperidine

C17H25NO2 — CID 68901288

IUPAC2-(1,3-dioxolan-2-yl)-1-(3-phenylpropyl)piperidine
SMILESc1ccc(CCCN2CCCCC2C2OCCO2)cc1
InChIInChI=1S/C17H25NO2/c1-2-7-15(8-3-1)9-6-12-18-11-5-4-10-16(18)17-19-13-14-20-17/h1-3,7-8,16-17H,4-6,9-14H2
InChIKeyWWSPLOXVJLFUEX-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.85
Rot. Bonds5

About 2-(1,3-dioxolan-2-yl)-1-(3-phenylpropyl)piperidine

2-(1,3-dioxolan-2-yl)-1-(3-phenylpropyl)piperidine (PubChem CID 68901288) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-yl)-1-(3-phenylpropyl)piperidine.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-yl)-1-(3-phenylpropyl)piperidine
PubChem CID68901288
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-(1,3-dioxolan-2-yl)-1-(3-phenylpropyl)piperidine
SMILESc1ccc(CCCN2CCCCC2C2OCCO2)cc1
InChIInChI=1S/C17H25NO2/c1-2-7-15(8-3-1)9-6-12-18-11-5-4-10-16(18)17-19-13-14-20-17/h1-3,7-8,16-17H,4-6,9-14H2
InChIKeyWWSPLOXVJLFUEX-UHFFFAOYSA-N
XLogP2.85
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(benzenesulfonyl)ethyl]-2-(1,3-dioxolan-2-yl)piperidine
CID 56501348
N-benzyl-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-ethylacetamide
CID 56501604
3-[1-(3-phenylpropyl)pyrrolidin-2-yl]piperidine
CID 66273007
3-[2-(3-phenylpropyl)piperidin-1-yl]propan-1-ol
CID 21153822
2-(1,3-dioxolan-2-yl)-1-(thiophen-2-ylmethyl)piperidine
CID 84593778
methyl 2-[1-(3-phenylpropyl)piperidin-2-yl]acetate
CID 61034555
(2S)-2-(1,3-dioxolan-2-yl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine
CID 95270190
2-(6-phenylhexyl)-2-azabicyclo[3.1.0]hexane
CID 175956808
methyl 1-(4-phenylbutyl)piperidine-2-carboxylate
CID 114334490
(2S)-N-benzyl-2-(1,3-dioxolan-2-yl)piperidine-1-carboxamide
CID 95268349
2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-(4-phenylphenyl)acetamide
CID 56500400
3-[1-(3-phenylpropyl)pyrrolidin-2-yl]propanoic acid
CID 82183365

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-2-yl)-1-(3-phenylpropyl)piperidine?
The IUPAC name of 2-(1,3-dioxolan-2-yl)-1-(3-phenylpropyl)piperidine (CID 68901288) is 2-(1,3-dioxolan-2-yl)-1-(3-phenylpropyl)piperidine.
What is the SMILES notation for 2-(1,3-dioxolan-2-yl)-1-(3-phenylpropyl)piperidine?
The canonical SMILES for 2-(1,3-dioxolan-2-yl)-1-(3-phenylpropyl)piperidine is c1ccc(CCCN2CCCCC2C2OCCO2)cc1.
What is the InChIKey of 2-(1,3-dioxolan-2-yl)-1-(3-phenylpropyl)piperidine?
The InChIKey is WWSPLOXVJLFUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-7-15(8-3-1)9-6-12-18-11-5-4-10-16(18)17-19-13-14-20-17/h1-3,7-8,16-17H,4-6,9-14H2.
What are the key properties of 2-(1,3-dioxolan-2-yl)-1-(3-phenylpropyl)piperidine?
2-(1,3-dioxolan-2-yl)-1-(3-phenylpropyl)piperidine has a molecular weight of 275.39 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-2-yl)-1-(3-phenylpropyl)piperidine is sourced from PubChem (CID 68901288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).