1-[4-(1-aminoethyl)piperidin-1-yl]-2-(1-benzofuran-2-yl)propan-1-one;hydrochloride

C18H25ClN2O2 — CID 119518879

IUPAC1-[4-(1-aminoethyl)piperidin-1-yl]-2-(1-benzofuran-2-yl)propan-1-one;hydrochloride
SMILESCC(C(=O)N1CCC(C(C)N)CC1)c1cc2ccccc2o1.Cl
InChIInChI=1S/C18H24N2O2.ClH/c1-12(17-11-15-5-3-4-6-16(15)22-17)18(21)20-9-7-14(8-10-20)13(2)19;/h3-6,11-14H,7-10,19H2,1-2H3;1H
InChIKeyIMTAFGPESCKUII-UHFFFAOYSA-N
MW336.86 g/mol
LogP3.54
Rot. Bonds3

About 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(1-benzofuran-2-yl)propan-1-one;hydrochloride

1-[4-(1-aminoethyl)piperidin-1-yl]-2-(1-benzofuran-2-yl)propan-1-one;hydrochloride (PubChem CID 119518879) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(1-benzofuran-2-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[4-(1-aminoethyl)piperidin-1-yl]-2-(1-benzofuran-2-yl)propan-1-one;hydrochloride
PubChem CID119518879
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC Name1-[4-(1-aminoethyl)piperidin-1-yl]-2-(1-benzofuran-2-yl)propan-1-one;hydrochloride
SMILESCC(C(=O)N1CCC(C(C)N)CC1)c1cc2ccccc2o1.Cl
InChIInChI=1S/C18H24N2O2.ClH/c1-12(17-11-15-5-3-4-6-16(15)22-17)18(21)20-9-7-14(8-10-20)13(2)19;/h3-6,11-14H,7-10,19H2,1-2H3;1H
InChIKeyIMTAFGPESCKUII-UHFFFAOYSA-N
XLogP3.54
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1-aminoethyl)piperidin-1-yl]-2-(1-benzofuran-2-yl)propan-1-one;hydrochloride
CID 119436109
2-(1-benzofuran-2-yl)-1-(3-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 119578543
1-[4-(1-aminoethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
CID 119519475
2-(1-benzofuran-2-yl)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 119471792
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-chlorophenyl)propan-1-one
CID 119520449
3-[3-(1-aminoethyl)piperidine-1-carbonyl]chromen-2-one;hydrochloride
CID 119594343
2-(1-benzofuran-2-yl)-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propan-1-one
CID 126793205
(2S,4R)-4-(1-benzofuran-2-yl)-3-oxo-2-(pyrrolidine-1-carbonyl)pentanenitrile
CID 99813983
N-(4-aminocyclohexyl)-2-(1-benzofuran-2-yl)propanamide
CID 119476753
4-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-N-ethylpiperidine-1,4-dicarboxamide
CID 94660712
(2S)-2-(1-benzofuran-2-yl)-1-[4-[(1S)-1-pyridin-3-ylethyl]piperazin-1-yl]propan-1-one
CID 99818316
1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxypropan-1-one
CID 119520564

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(1-benzofuran-2-yl)propan-1-one;hydrochloride?
The IUPAC name of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(1-benzofuran-2-yl)propan-1-one;hydrochloride (CID 119518879) is 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(1-benzofuran-2-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(1-benzofuran-2-yl)propan-1-one;hydrochloride?
The canonical SMILES for 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(1-benzofuran-2-yl)propan-1-one;hydrochloride is CC(C(=O)N1CCC(C(C)N)CC1)c1cc2ccccc2o1.Cl.
What is the InChIKey of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(1-benzofuran-2-yl)propan-1-one;hydrochloride?
The InChIKey is IMTAFGPESCKUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2.ClH/c1-12(17-11-15-5-3-4-6-16(15)22-17)18(21)20-9-7-14(8-10-20)13(2)19;/h3-6,11-14H,7-10,19H2,1-2H3;1H.
What are the key properties of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(1-benzofuran-2-yl)propan-1-one;hydrochloride?
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(1-benzofuran-2-yl)propan-1-one;hydrochloride has a molecular weight of 336.86 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(1-benzofuran-2-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 119518879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).