2-[4-(aminomethyl)piperidin-1-yl]-1-(furan-2-yl)ethanone;hydrochloride

C12H19ClN2O2 — CID 71644820

IUPAC2-[4-(aminomethyl)piperidin-1-yl]-1-(furan-2-yl)ethanone;hydrochloride
SMILESCl.NCC1CCN(CC(=O)c2ccco2)CC1
InChIInChI=1S/C12H18N2O2.ClH/c13-8-10-3-5-14(6-4-10)9-11(15)12-2-1-7-16-12;/h1-2,7,10H,3-6,8-9,13H2;1H
InChIKeyBDUJSRRXVIQVMM-UHFFFAOYSA-N
MW258.75 g/mol
LogP1.55
Rot. Bonds4

About 2-[4-(aminomethyl)piperidin-1-yl]-1-(furan-2-yl)ethanone;hydrochloride

2-[4-(aminomethyl)piperidin-1-yl]-1-(furan-2-yl)ethanone;hydrochloride (PubChem CID 71644820) has the molecular formula C12H19ClN2O2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 2-[4-(aminomethyl)piperidin-1-yl]-1-(furan-2-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-[4-(aminomethyl)piperidin-1-yl]-1-(furan-2-yl)ethanone;hydrochloride
PubChem CID71644820
Molecular FormulaC12H19ClN2O2
Molecular Weight258.75 g/mol
Exact Mass258.11
IUPAC Name2-[4-(aminomethyl)piperidin-1-yl]-1-(furan-2-yl)ethanone;hydrochloride
SMILESCl.NCC1CCN(CC(=O)c2ccco2)CC1
InChIInChI=1S/C12H18N2O2.ClH/c13-8-10-3-5-14(6-4-10)9-11(15)12-2-1-7-16-12;/h1-2,7,10H,3-6,8-9,13H2;1H
InChIKeyBDUJSRRXVIQVMM-UHFFFAOYSA-N
XLogP1.55
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-aminopiperidin-1-yl)-1-(furan-2-yl)ethanone
CID 62031487
2-[1-[2-(furan-2-yl)-2-oxoethyl]piperidin-4-yl]acetamide
CID 54989522
1-(furan-2-yl)-2-(4-propylpiperidin-1-yl)ethanone
CID 55050319
1-(furan-2-yl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 63971558
2-[[1-[2-(furan-2-yl)-2-oxoethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one;hydrochloride
CID 21078000
1-(furan-2-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 102960348
1-(furan-2-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 62025348
1-(furan-2-yl)-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 94201565
N-[2-(4-aminopiperidin-1-yl)acetyl]furan-2-carboxamide
CID 43556804
1-(furan-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
CID 55140385
2-(1,3-dihydroisoindol-2-yl)-1-(furan-2-yl)ethanone
CID 62206434
2-[2-(furan-2-yl)-2-oxoethyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82863884

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)piperidin-1-yl]-1-(furan-2-yl)ethanone;hydrochloride?
The IUPAC name of 2-[4-(aminomethyl)piperidin-1-yl]-1-(furan-2-yl)ethanone;hydrochloride (CID 71644820) is 2-[4-(aminomethyl)piperidin-1-yl]-1-(furan-2-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-[4-(aminomethyl)piperidin-1-yl]-1-(furan-2-yl)ethanone;hydrochloride?
The canonical SMILES for 2-[4-(aminomethyl)piperidin-1-yl]-1-(furan-2-yl)ethanone;hydrochloride is Cl.NCC1CCN(CC(=O)c2ccco2)CC1.
What is the InChIKey of 2-[4-(aminomethyl)piperidin-1-yl]-1-(furan-2-yl)ethanone;hydrochloride?
The InChIKey is BDUJSRRXVIQVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2.ClH/c13-8-10-3-5-14(6-4-10)9-11(15)12-2-1-7-16-12;/h1-2,7,10H,3-6,8-9,13H2;1H.
What are the key properties of 2-[4-(aminomethyl)piperidin-1-yl]-1-(furan-2-yl)ethanone;hydrochloride?
2-[4-(aminomethyl)piperidin-1-yl]-1-(furan-2-yl)ethanone;hydrochloride has a molecular weight of 258.75 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)piperidin-1-yl]-1-(furan-2-yl)ethanone;hydrochloride is sourced from PubChem (CID 71644820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).