3-cyclohexyl-1-[4-(furan-2-yl)butan-2-yl]piperazine

C18H30N2O — CID 64953713

IUPAC3-cyclohexyl-1-[4-(furan-2-yl)butan-2-yl]piperazine
SMILESCC(CCc1ccco1)N1CCNC(C2CCCCC2)C1
InChIInChI=1S/C18H30N2O/c1-15(9-10-17-8-5-13-21-17)20-12-11-19-18(14-20)16-6-3-2-4-7-16/h5,8,13,15-16,18-19H,2-4,6-7,9-12,14H2,1H3
InChIKeyKOVYMCVZRAJVOY-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.45
Rot. Bonds5

About 3-cyclohexyl-1-[4-(furan-2-yl)butan-2-yl]piperazine

3-cyclohexyl-1-[4-(furan-2-yl)butan-2-yl]piperazine (PubChem CID 64953713) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 3-cyclohexyl-1-[4-(furan-2-yl)butan-2-yl]piperazine.

Molecular Properties

Compound Name3-cyclohexyl-1-[4-(furan-2-yl)butan-2-yl]piperazine
PubChem CID64953713
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name3-cyclohexyl-1-[4-(furan-2-yl)butan-2-yl]piperazine
SMILESCC(CCc1ccco1)N1CCNC(C2CCCCC2)C1
InChIInChI=1S/C18H30N2O/c1-15(9-10-17-8-5-13-21-17)20-12-11-19-18(14-20)16-6-3-2-4-7-16/h5,8,13,15-16,18-19H,2-4,6-7,9-12,14H2,1H3
InChIKeyKOVYMCVZRAJVOY-UHFFFAOYSA-N
XLogP3.45
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclohexyl-1-(1-methylsulfonylpropan-2-yl)piperazine
CID 64954449
1-[1-(furan-2-yl)propan-2-yl]-2-pyrrolidin-2-ylpiperidine
CID 63256708
2-[4-(furan-2-yl)butan-2-yl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926095
1-[1-(furan-2-yl)propan-2-yl]-2-pyrrolidin-2-ylpyrrolidine
CID 55180167
4-[4-(furan-2-yl)butan-2-yl]-3-methyl-1,4-diazaspiro[5.5]undecane
CID 64947852
1-[4-(furan-2-yl)butan-2-yl]-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942681
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)propan-1-amine
CID 62569548
1-[1-(3-bromophenyl)ethyl]-3-cyclohexylpiperazine
CID 64953710
5-ethyl-1-[4-(furan-2-yl)butan-2-yl]-2-methylpiperazine
CID 64947660
(4aS,7aS)-6-[1-(furan-2-yl)propyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678989
3-cyclopropyl-1-octan-2-ylpiperazine
CID 64925345
2-[1-(furan-2-yl)propan-2-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939766

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[4-(furan-2-yl)butan-2-yl]piperazine?
The IUPAC name of 3-cyclohexyl-1-[4-(furan-2-yl)butan-2-yl]piperazine (CID 64953713) is 3-cyclohexyl-1-[4-(furan-2-yl)butan-2-yl]piperazine.
What is the SMILES notation for 3-cyclohexyl-1-[4-(furan-2-yl)butan-2-yl]piperazine?
The canonical SMILES for 3-cyclohexyl-1-[4-(furan-2-yl)butan-2-yl]piperazine is CC(CCc1ccco1)N1CCNC(C2CCCCC2)C1.
What is the InChIKey of 3-cyclohexyl-1-[4-(furan-2-yl)butan-2-yl]piperazine?
The InChIKey is KOVYMCVZRAJVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-15(9-10-17-8-5-13-21-17)20-12-11-19-18(14-20)16-6-3-2-4-7-16/h5,8,13,15-16,18-19H,2-4,6-7,9-12,14H2,1H3.
What are the key properties of 3-cyclohexyl-1-[4-(furan-2-yl)butan-2-yl]piperazine?
3-cyclohexyl-1-[4-(furan-2-yl)butan-2-yl]piperazine has a molecular weight of 290.45 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[4-(furan-2-yl)butan-2-yl]piperazine is sourced from PubChem (CID 64953713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).