1-benzyl-4-(1,3-dioxolan-2-yl)piperidine

C15H21NO2 — CID 72714001

IUPAC1-benzyl-4-(1,3-dioxolan-2-yl)piperidine
SMILESc1ccc(CN2CCC(C3OCCO3)CC2)cc1
InChIInChI=1S/C15H21NO2/c1-2-4-13(5-3-1)12-16-8-6-14(7-9-16)15-17-10-11-18-15/h1-5,14-15H,6-12H2
InChIKeyOSJLRHXARGJGMC-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.27
Rot. Bonds3

About 1-benzyl-4-(1,3-dioxolan-2-yl)piperidine

1-benzyl-4-(1,3-dioxolan-2-yl)piperidine (PubChem CID 72714001) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-benzyl-4-(1,3-dioxolan-2-yl)piperidine.

Molecular Properties

Compound Name1-benzyl-4-(1,3-dioxolan-2-yl)piperidine
PubChem CID72714001
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-benzyl-4-(1,3-dioxolan-2-yl)piperidine
SMILESc1ccc(CN2CCC(C3OCCO3)CC2)cc1
InChIInChI=1S/C15H21NO2/c1-2-4-13(5-3-1)12-16-8-6-14(7-9-16)15-17-10-11-18-15/h1-5,14-15H,6-12H2
InChIKeyOSJLRHXARGJGMC-UHFFFAOYSA-N
XLogP2.27
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-benzyl-N,N-dicyclopropylpiperidin-4-amine
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CID 71244864
(1-benzylpiperidin-4-yl)-dimethylazanium
CID 86306723
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
(1-benzylpiperidin-4-yl)methanethiol
CID 88901626
(7R)-4-benzyl-7-(methoxymethyl)-1,4-oxazepane
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1-benzylpyrrolidine;1-(oxolan-2-yl)pyrrolidine
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CID 129053759

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(1,3-dioxolan-2-yl)piperidine?
The IUPAC name of 1-benzyl-4-(1,3-dioxolan-2-yl)piperidine (CID 72714001) is 1-benzyl-4-(1,3-dioxolan-2-yl)piperidine.
What is the SMILES notation for 1-benzyl-4-(1,3-dioxolan-2-yl)piperidine?
The canonical SMILES for 1-benzyl-4-(1,3-dioxolan-2-yl)piperidine is c1ccc(CN2CCC(C3OCCO3)CC2)cc1.
What is the InChIKey of 1-benzyl-4-(1,3-dioxolan-2-yl)piperidine?
The InChIKey is OSJLRHXARGJGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-4-13(5-3-1)12-16-8-6-14(7-9-16)15-17-10-11-18-15/h1-5,14-15H,6-12H2.
What are the key properties of 1-benzyl-4-(1,3-dioxolan-2-yl)piperidine?
1-benzyl-4-(1,3-dioxolan-2-yl)piperidine has a molecular weight of 247.34 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(1,3-dioxolan-2-yl)piperidine is sourced from PubChem (CID 72714001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).