3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]piperidine

C16H23NO2 — CID 117408145

IUPAC3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]piperidine
SMILESCC1(C)OCC(c2cccc(C3CCCNC3)c2)O1
InChIInChI=1S/C16H23NO2/c1-16(2)18-11-15(19-16)13-6-3-5-12(9-13)14-7-4-8-17-10-14/h3,5-6,9,14-15,17H,4,7-8,10-11H2,1-2H3
InChIKeyFSPXCPKPDQSPAZ-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.98
Rot. Bonds2

About 3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]piperidine

3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]piperidine (PubChem CID 117408145) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]piperidine.

Molecular Properties

Compound Name3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]piperidine
PubChem CID117408145
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]piperidine
SMILESCC1(C)OCC(c2cccc(C3CCCNC3)c2)O1
InChIInChI=1S/C16H23NO2/c1-16(2)18-11-15(19-16)13-6-3-5-12(9-13)14-7-4-8-17-10-14/h3,5-6,9,14-15,17H,4,7-8,10-11H2,1-2H3
InChIKeyFSPXCPKPDQSPAZ-UHFFFAOYSA-N
XLogP2.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-2,2-dimethyl-4-phenyl-1,3-dioxolane
CID 11344328
3-piperidin-3-ylbenzenethiol
CID 116988736
1-[1-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]ethyl]piperazine
CID 117109297
(3-piperidin-3-ylphenoxy)phosphane
CID 144633040
2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]propan-2-amine
CID 117343489
1-[2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]ethyl]piperazine
CID 117469431
(3S)-3-(3-fluorophenyl)piperidine;hydrochloride
CID 45074276
N-methyl-1-(3-piperidin-3-ylphenyl)methanamine
CID 116988688
1-methyl-3-(3-piperidin-3-ylphenyl)piperidine
CID 116988809
1-[[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methyl]cyclopropan-1-amine
CID 117371294
(3-piperidin-3-ylphenyl)methanamine
CID 82603658
5-(3-methylphenyl)-2-piperidin-3-yl-4,5-dihydro-1,3-oxazole
CID 115061345

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]piperidine?
The IUPAC name of 3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]piperidine (CID 117408145) is 3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]piperidine.
What is the SMILES notation for 3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]piperidine?
The canonical SMILES for 3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]piperidine is CC1(C)OCC(c2cccc(C3CCCNC3)c2)O1.
What is the InChIKey of 3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]piperidine?
The InChIKey is FSPXCPKPDQSPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-16(2)18-11-15(19-16)13-6-3-5-12(9-13)14-7-4-8-17-10-14/h3,5-6,9,14-15,17H,4,7-8,10-11H2,1-2H3.
What are the key properties of 3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]piperidine?
3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]piperidine has a molecular weight of 261.36 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]piperidine is sourced from PubChem (CID 117408145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).