1-[3-(furan-2-yl)propyl]-2,2-dimethylpiperazine

C13H22N2O — CID 82286993

IUPAC1-[3-(furan-2-yl)propyl]-2,2-dimethylpiperazine
SMILESCC1(C)CNCCN1CCCc1ccco1
InChIInChI=1S/C13H22N2O/c1-13(2)11-14-7-9-15(13)8-3-5-12-6-4-10-16-12/h4,6,10,14H,3,5,7-9,11H2,1-2H3
InChIKeyXRZWXJALKQUDRR-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.90
Rot. Bonds4

About 1-[3-(furan-2-yl)propyl]-2,2-dimethylpiperazine

1-[3-(furan-2-yl)propyl]-2,2-dimethylpiperazine (PubChem CID 82286993) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-[3-(furan-2-yl)propyl]-2,2-dimethylpiperazine.

Molecular Properties

Compound Name1-[3-(furan-2-yl)propyl]-2,2-dimethylpiperazine
PubChem CID82286993
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-[3-(furan-2-yl)propyl]-2,2-dimethylpiperazine
SMILESCC1(C)CNCCN1CCCc1ccco1
InChIInChI=1S/C13H22N2O/c1-13(2)11-14-7-9-15(13)8-3-5-12-6-4-10-16-12/h4,6,10,14H,3,5,7-9,11H2,1-2H3
InChIKeyXRZWXJALKQUDRR-UHFFFAOYSA-N
XLogP1.90
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-1-(2-thiophen-2-ylethyl)piperazine
CID 63774564
1-[2-(4-bromophenyl)ethyl]-2,2-dimethylpiperazine
CID 82308187
1-[3-(furan-2-yl)propyl]piperidine
CID 162740839
2,2-dimethyl-1-pent-4-enylpiperazine
CID 65463212
1-(3-ethylsulfanylpropyl)-2,2-dimethylpiperazine
CID 115741512
2-(furan-2-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]ethanamine
CID 63142896
1-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-3-[2-(furan-2-yl)ethyl]urea
CID 166190211
2,2-dimethyl-1-[2-(4-methylphenoxy)ethyl]piperazine
CID 65460395
1-ethyl-2,2-dimethylpiperazine;dihydrochloride
CID 53398810
1-[2-(2,4-dichlorophenoxy)ethyl]-2,2-dimethylpiperazine
CID 65461570
1-[2-(4-methoxy-3-methylphenyl)ethyl]-2,2-dimethylpiperazine
CID 82302915
N-[(3-ethylpyrrolidin-3-yl)methyl]-1-(furan-2-yl)methanamine
CID 63143229

Frequently Asked Questions

What is the IUPAC name of 1-[3-(furan-2-yl)propyl]-2,2-dimethylpiperazine?
The IUPAC name of 1-[3-(furan-2-yl)propyl]-2,2-dimethylpiperazine (CID 82286993) is 1-[3-(furan-2-yl)propyl]-2,2-dimethylpiperazine.
What is the SMILES notation for 1-[3-(furan-2-yl)propyl]-2,2-dimethylpiperazine?
The canonical SMILES for 1-[3-(furan-2-yl)propyl]-2,2-dimethylpiperazine is CC1(C)CNCCN1CCCc1ccco1.
What is the InChIKey of 1-[3-(furan-2-yl)propyl]-2,2-dimethylpiperazine?
The InChIKey is XRZWXJALKQUDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-13(2)11-14-7-9-15(13)8-3-5-12-6-4-10-16-12/h4,6,10,14H,3,5,7-9,11H2,1-2H3.
What are the key properties of 1-[3-(furan-2-yl)propyl]-2,2-dimethylpiperazine?
1-[3-(furan-2-yl)propyl]-2,2-dimethylpiperazine has a molecular weight of 222.33 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(furan-2-yl)propyl]-2,2-dimethylpiperazine is sourced from PubChem (CID 82286993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).