1-[3-(aminomethyl)piperidin-1-yl]-3-(furan-2-yl)propan-1-one

C13H20N2O2 — CID 55210563

IUPAC1-[3-(aminomethyl)piperidin-1-yl]-3-(furan-2-yl)propan-1-one
SMILESNCC1CCCN(C(=O)CCc2ccco2)C1
InChIInChI=1S/C13H20N2O2/c14-9-11-3-1-7-15(10-11)13(16)6-5-12-4-2-8-17-12/h2,4,8,11H,1,3,5-7,9-10,14H2
InChIKeyDJMZVTYRZMPQQM-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.41
Rot. Bonds4

About 1-[3-(aminomethyl)piperidin-1-yl]-3-(furan-2-yl)propan-1-one

1-[3-(aminomethyl)piperidin-1-yl]-3-(furan-2-yl)propan-1-one (PubChem CID 55210563) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[3-(aminomethyl)piperidin-1-yl]-3-(furan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[3-(aminomethyl)piperidin-1-yl]-3-(furan-2-yl)propan-1-one
PubChem CID55210563
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-[3-(aminomethyl)piperidin-1-yl]-3-(furan-2-yl)propan-1-one
SMILESNCC1CCCN(C(=O)CCc2ccco2)C1
InChIInChI=1S/C13H20N2O2/c14-9-11-3-1-7-15(10-11)13(16)6-5-12-4-2-8-17-12/h2,4,8,11H,1,3,5-7,9-10,14H2
InChIKeyDJMZVTYRZMPQQM-UHFFFAOYSA-N
XLogP1.41
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(aminomethyl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 62062665
2-[1-[3-(furan-2-yl)propanoyl]piperidin-3-yl]acetic acid
CID 62689381
1-[3-(2-aminoethyl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 114802131
1-(3-ethyl-4-hydroxypiperidin-1-yl)-3-(furan-2-yl)propan-1-one
CID 114509981
1-(3-bromo-4-methylpiperidin-1-yl)-3-(furan-2-yl)propan-1-one
CID 102961987
1-[(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 25450628
5-[(3S)-1-[3-(furan-2-yl)propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514274
1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one
CID 80505042
3-(furan-2-yl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 54923480
4-[3-(furan-2-yl)propanoyl]morpholine-2-carbothioamide
CID 79674928
1-(3-aminopyrrolidin-1-yl)-2-(furan-2-yl)ethanone
CID 83619262
3-(furan-2-yl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 79030540

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)piperidin-1-yl]-3-(furan-2-yl)propan-1-one?
The IUPAC name of 1-[3-(aminomethyl)piperidin-1-yl]-3-(furan-2-yl)propan-1-one (CID 55210563) is 1-[3-(aminomethyl)piperidin-1-yl]-3-(furan-2-yl)propan-1-one.
What is the SMILES notation for 1-[3-(aminomethyl)piperidin-1-yl]-3-(furan-2-yl)propan-1-one?
The canonical SMILES for 1-[3-(aminomethyl)piperidin-1-yl]-3-(furan-2-yl)propan-1-one is NCC1CCCN(C(=O)CCc2ccco2)C1.
What is the InChIKey of 1-[3-(aminomethyl)piperidin-1-yl]-3-(furan-2-yl)propan-1-one?
The InChIKey is DJMZVTYRZMPQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c14-9-11-3-1-7-15(10-11)13(16)6-5-12-4-2-8-17-12/h2,4,8,11H,1,3,5-7,9-10,14H2.
What are the key properties of 1-[3-(aminomethyl)piperidin-1-yl]-3-(furan-2-yl)propan-1-one?
1-[3-(aminomethyl)piperidin-1-yl]-3-(furan-2-yl)propan-1-one has a molecular weight of 236.31 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)piperidin-1-yl]-3-(furan-2-yl)propan-1-one is sourced from PubChem (CID 55210563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).