1-(furan-2-ylmethyl)-4-pentan-3-ylpiperazine

C14H24N2O — CID 764594

IUPAC1-(furan-2-ylmethyl)-4-pentan-3-ylpiperazine
SMILESCCC(CC)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C14H24N2O/c1-3-13(4-2)16-9-7-15(8-10-16)12-14-6-5-11-17-14/h5-6,11,13H,3-4,7-10,12H2,1-2H3
InChIKeyNKPOHVNTYSODMZ-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.59
Rot. Bonds5

About 1-(furan-2-ylmethyl)-4-pentan-3-ylpiperazine

1-(furan-2-ylmethyl)-4-pentan-3-ylpiperazine (PubChem CID 764594) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-4-pentan-3-ylpiperazine.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-4-pentan-3-ylpiperazine
PubChem CID764594
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-(furan-2-ylmethyl)-4-pentan-3-ylpiperazine
SMILESCCC(CC)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C14H24N2O/c1-3-13(4-2)16-9-7-15(8-10-16)12-14-6-5-11-17-14/h5-6,11,13H,3-4,7-10,12H2,1-2H3
InChIKeyNKPOHVNTYSODMZ-UHFFFAOYSA-N
XLogP2.59
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-ylmethyl)-4-methylpiperazine;methanamine
CID 162740974
1-(furan-2-ylmethyl)piperidine;methanamine
CID 162741090
1-(furan-2-ylmethyl)-4-[(4-methylphenyl)methyl]piperazine
CID 772071
1-ethyl-4-[(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl]piperazine
CID 855392
3-[4-(furan-2-ylmethyl)piperazin-1-yl]propan-1-amine
CID 22689734
1-(furan-2-ylmethyl)-N,N-dimethylpiperidin-4-amine
CID 91664788
2-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]butan-1-ol
CID 111489708
2-amino-2-ethyl-1-[4-(furan-2-ylmethyl)piperazin-1-yl]butan-1-one
CID 79810335
1-(furan-2-ylmethyl)-N-methylpiperidin-4-amine;hydrochloride
CID 86253291
2-[4-(furan-2-ylmethyl)piperazin-1-yl]aniline
CID 19626878
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 17249414
(2R)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide
CID 30724914

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-4-pentan-3-ylpiperazine?
The IUPAC name of 1-(furan-2-ylmethyl)-4-pentan-3-ylpiperazine (CID 764594) is 1-(furan-2-ylmethyl)-4-pentan-3-ylpiperazine.
What is the SMILES notation for 1-(furan-2-ylmethyl)-4-pentan-3-ylpiperazine?
The canonical SMILES for 1-(furan-2-ylmethyl)-4-pentan-3-ylpiperazine is CCC(CC)N1CCN(Cc2ccco2)CC1.
What is the InChIKey of 1-(furan-2-ylmethyl)-4-pentan-3-ylpiperazine?
The InChIKey is NKPOHVNTYSODMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-13(4-2)16-9-7-15(8-10-16)12-14-6-5-11-17-14/h5-6,11,13H,3-4,7-10,12H2,1-2H3.
What are the key properties of 1-(furan-2-ylmethyl)-4-pentan-3-ylpiperazine?
1-(furan-2-ylmethyl)-4-pentan-3-ylpiperazine has a molecular weight of 236.36 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-4-pentan-3-ylpiperazine is sourced from PubChem (CID 764594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).