1-[(2,5-dimethylphenyl)methyl]-2-(1,3-dioxolan-2-yl)piperidine

C17H25NO2 — CID 56500402

IUPAC1-[(2,5-dimethylphenyl)methyl]-2-(1,3-dioxolan-2-yl)piperidine
SMILESCc1ccc(C)c(CN2CCCCC2C2OCCO2)c1
InChIInChI=1S/C17H25NO2/c1-13-6-7-14(2)15(11-13)12-18-8-4-3-5-16(18)17-19-9-10-20-17/h6-7,11,16-17H,3-5,8-10,12H2,1-2H3
InChIKeyLDPVLUGHGRDYQE-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.03
Rot. Bonds3

About 1-[(2,5-dimethylphenyl)methyl]-2-(1,3-dioxolan-2-yl)piperidine

1-[(2,5-dimethylphenyl)methyl]-2-(1,3-dioxolan-2-yl)piperidine (PubChem CID 56500402) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-[(2,5-dimethylphenyl)methyl]-2-(1,3-dioxolan-2-yl)piperidine.

Molecular Properties

Compound Name1-[(2,5-dimethylphenyl)methyl]-2-(1,3-dioxolan-2-yl)piperidine
PubChem CID56500402
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-[(2,5-dimethylphenyl)methyl]-2-(1,3-dioxolan-2-yl)piperidine
SMILESCc1ccc(C)c(CN2CCCCC2C2OCCO2)c1
InChIInChI=1S/C17H25NO2/c1-13-6-7-14(2)15(11-13)12-18-8-4-3-5-16(18)17-19-9-10-20-17/h6-7,11,16-17H,3-5,8-10,12H2,1-2H3
InChIKeyLDPVLUGHGRDYQE-UHFFFAOYSA-N
XLogP3.03
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-2-(1,3-dioxolan-2-yl)piperidine?
The IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-2-(1,3-dioxolan-2-yl)piperidine (CID 56500402) is 1-[(2,5-dimethylphenyl)methyl]-2-(1,3-dioxolan-2-yl)piperidine.
What is the SMILES notation for 1-[(2,5-dimethylphenyl)methyl]-2-(1,3-dioxolan-2-yl)piperidine?
The canonical SMILES for 1-[(2,5-dimethylphenyl)methyl]-2-(1,3-dioxolan-2-yl)piperidine is Cc1ccc(C)c(CN2CCCCC2C2OCCO2)c1.
What is the InChIKey of 1-[(2,5-dimethylphenyl)methyl]-2-(1,3-dioxolan-2-yl)piperidine?
The InChIKey is LDPVLUGHGRDYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13-6-7-14(2)15(11-13)12-18-8-4-3-5-16(18)17-19-9-10-20-17/h6-7,11,16-17H,3-5,8-10,12H2,1-2H3.
What are the key properties of 1-[(2,5-dimethylphenyl)methyl]-2-(1,3-dioxolan-2-yl)piperidine?
1-[(2,5-dimethylphenyl)methyl]-2-(1,3-dioxolan-2-yl)piperidine has a molecular weight of 275.39 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylphenyl)methyl]-2-(1,3-dioxolan-2-yl)piperidine is sourced from PubChem (CID 56500402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).