1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one

C14H22N2O2 — CID 17249414

IUPAC1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)13(17)16-8-6-15(7-9-16)11-12-5-4-10-18-12/h4-5,10H,6-9,11H2,1-3H3
InChIKeyGXTZXMOJUOMTIW-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.97
Rot. Bonds2

About 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one

1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 17249414) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID17249414
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)13(17)16-8-6-15(7-9-16)11-12-5-4-10-18-12/h4-5,10H,6-9,11H2,1-3H3
InChIKeyGXTZXMOJUOMTIW-UHFFFAOYSA-N
XLogP1.97
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-ethyl-1-[4-(furan-2-ylmethyl)piperazin-1-yl]butan-1-one
CID 79810335
1-[4-(furan-2-ylmethyl)piperazin-1-yl]butane-1,3-dione
CID 54876665
2-bromo-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
CID 63680467
1-[4-(furan-2-ylmethyl)piperazin-1-yl]nonane-1,8-dione
CID 75394752
N-(2-tert-butylsulfanylethyl)-4-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 86884757
(E)-4-[4-(furan-2-ylmethyl)piperazin-1-yl]-4-oxobut-2-enoic acid
CID 54874934
[4-(furan-2-ylmethyl)piperazin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone
CID 46684636
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone
CID 1131695
tert-butyl N-[4-[[4-(furan-2-ylmethyl)piperazine-1-carbonyl]amino]phenyl]carbamate
CID 86892866
2-(2-bromophenyl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
CID 113073906
2-(4-ethoxyphenyl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
CID 17249513
1-(furan-2-ylmethyl)-4-methylpiperazine;methanamine
CID 162740974

Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one (CID 17249414) is 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCN(Cc2ccco2)CC1.
What is the InChIKey of 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is GXTZXMOJUOMTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-14(2,3)13(17)16-8-6-15(7-9-16)11-12-5-4-10-18-12/h4-5,10H,6-9,11H2,1-3H3.
What are the key properties of 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 250.34 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 17249414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).