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

C17H26N2O2 — CID 117109297

IUPAC1-[1-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]ethyl]piperazine
SMILESCC(c1cccc(C2COC(C)(C)O2)c1)N1CCNCC1
InChIInChI=1S/C17H26N2O2/c1-13(19-9-7-18-8-10-19)14-5-4-6-15(11-14)16-12-20-17(2,3)21-16/h4-6,11,13,16,18H,7-10,12H2,1-3H3
InChIKeyUNLZJKWOYCABKF-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.48
Rot. Bonds3

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

1-[1-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]ethyl]piperazine (PubChem CID 117109297) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[1-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]ethyl]piperazine.

Molecular Properties

Compound Name1-[1-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]ethyl]piperazine
PubChem CID117109297
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[1-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]ethyl]piperazine
SMILESCC(c1cccc(C2COC(C)(C)O2)c1)N1CCNCC1
InChIInChI=1S/C17H26N2O2/c1-13(19-9-7-18-8-10-19)14-5-4-6-15(11-14)16-12-20-17(2,3)21-16/h4-6,11,13,16,18H,7-10,12H2,1-3H3
InChIKeyUNLZJKWOYCABKF-UHFFFAOYSA-N
XLogP2.48
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]ethanamine
CID 117316672
1-[(1S)-1-(3-methylphenyl)ethyl]piperazine
CID 92754613
3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]piperidine
CID 117408145
1-[(1S)-1-(3-fluorophenyl)ethyl]piperazine
CID 51615755
3-(2,2-dimethyl-1,3-dioxolan-4-yl)benzonitrile
CID 117291540
(4R)-2,2-dimethyl-4-phenyl-1,3-dioxolane
CID 11344328
1-[(1S)-1-phenylethyl]piperazine;dihydrochloride
CID 57383523
1-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]piperazine
CID 92754709
1-[1-(3-chlorophenyl)ethyl]-1,4-diazepane
CID 5105220
1-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]piperazine
CID 93464479
1-[(1R)-1-naphthalen-2-ylethyl]piperazine
CID 93464443
1-[1-(3,4-diiodophenyl)ethyl]piperazine
CID 118911318

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]ethyl]piperazine?
The IUPAC name of 1-[1-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]ethyl]piperazine (CID 117109297) is 1-[1-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]ethyl]piperazine.
What is the SMILES notation for 1-[1-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]ethyl]piperazine?
The canonical SMILES for 1-[1-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]ethyl]piperazine is CC(c1cccc(C2COC(C)(C)O2)c1)N1CCNCC1.
What is the InChIKey of 1-[1-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]ethyl]piperazine?
The InChIKey is UNLZJKWOYCABKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13(19-9-7-18-8-10-19)14-5-4-6-15(11-14)16-12-20-17(2,3)21-16/h4-6,11,13,16,18H,7-10,12H2,1-3H3.
What are the key properties of 1-[1-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]ethyl]piperazine?
1-[1-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]ethyl]piperazine has a molecular weight of 290.41 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]ethyl]piperazine is sourced from PubChem (CID 117109297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).