[4-(1-aminoethyl)piperidin-1-yl]-(5-chlorofuran-2-yl)methanone;hydrochloride

C12H18Cl2N2O2 — CID 119520111

IUPAC[4-(1-aminoethyl)piperidin-1-yl]-(5-chlorofuran-2-yl)methanone;hydrochloride
SMILESCC(N)C1CCN(C(=O)c2ccc(Cl)o2)CC1.Cl
InChIInChI=1S/C12H17ClN2O2.ClH/c1-8(14)9-4-6-15(7-5-9)12(16)10-2-3-11(13)17-10;/h2-3,8-9H,4-7,14H2,1H3;1H
InChIKeyCCAPPPSMOZYNRJ-UHFFFAOYSA-N
MW293.19 g/mol
LogP2.55
Rot. Bonds2

About [4-(1-aminoethyl)piperidin-1-yl]-(5-chlorofuran-2-yl)methanone;hydrochloride

[4-(1-aminoethyl)piperidin-1-yl]-(5-chlorofuran-2-yl)methanone;hydrochloride (PubChem CID 119520111) has the molecular formula C12H18Cl2N2O2 and a molecular weight of 293.19 g/mol. Its IUPAC name is [4-(1-aminoethyl)piperidin-1-yl]-(5-chlorofuran-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(1-aminoethyl)piperidin-1-yl]-(5-chlorofuran-2-yl)methanone;hydrochloride
PubChem CID119520111
Molecular FormulaC12H18Cl2N2O2
Molecular Weight293.19 g/mol
Exact Mass292.07
IUPAC Name[4-(1-aminoethyl)piperidin-1-yl]-(5-chlorofuran-2-yl)methanone;hydrochloride
SMILESCC(N)C1CCN(C(=O)c2ccc(Cl)o2)CC1.Cl
InChIInChI=1S/C12H17ClN2O2.ClH/c1-8(14)9-4-6-15(7-5-9)12(16)10-2-3-11(13)17-10;/h2-3,8-9H,4-7,14H2,1H3;1H
InChIKeyCCAPPPSMOZYNRJ-UHFFFAOYSA-N
XLogP2.55
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.19
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chlorofuran-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551638
5-(4-propan-2-ylpiperidine-1-carbonyl)furan-2-carboxylic acid
CID 113354315
(5-chlorofuran-2-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 113245179
(5-chlorofuran-2-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 113226423
[4-(1-bromoethyl)piperidin-1-yl]-(5-bromofuran-2-yl)methanone
CID 106839225
[4-(1-aminoethyl)piperidin-1-yl]-(5-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119519531
2-[4-(5-chlorofuran-2-carbonyl)piperazin-1-yl]propanethioamide
CID 106684952
(3-bromo-4-methylpiperidin-1-yl)-(5-chlorofuran-2-yl)methanone
CID 106690241
[4-(1-aminoethyl)piperidin-1-yl]-(5-bromothiophen-2-yl)methanone;hydrochloride
CID 119520055
[4-(1-aminoethyl)piperidin-1-yl]-(2-chloro-5-hydroxyphenyl)methanone
CID 106502596
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(4-chlorophenyl)ethanone
CID 63596377
[4-(1-aminoethyl)piperidin-1-yl]-(4-bromo-2-methylphenyl)methanone;hydrochloride
CID 119518483

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(5-chlorofuran-2-yl)methanone;hydrochloride?
The IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(5-chlorofuran-2-yl)methanone;hydrochloride (CID 119520111) is [4-(1-aminoethyl)piperidin-1-yl]-(5-chlorofuran-2-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(1-aminoethyl)piperidin-1-yl]-(5-chlorofuran-2-yl)methanone;hydrochloride?
The canonical SMILES for [4-(1-aminoethyl)piperidin-1-yl]-(5-chlorofuran-2-yl)methanone;hydrochloride is CC(N)C1CCN(C(=O)c2ccc(Cl)o2)CC1.Cl.
What is the InChIKey of [4-(1-aminoethyl)piperidin-1-yl]-(5-chlorofuran-2-yl)methanone;hydrochloride?
The InChIKey is CCAPPPSMOZYNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2.ClH/c1-8(14)9-4-6-15(7-5-9)12(16)10-2-3-11(13)17-10;/h2-3,8-9H,4-7,14H2,1H3;1H.
What are the key properties of [4-(1-aminoethyl)piperidin-1-yl]-(5-chlorofuran-2-yl)methanone;hydrochloride?
[4-(1-aminoethyl)piperidin-1-yl]-(5-chlorofuran-2-yl)methanone;hydrochloride has a molecular weight of 293.19 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminoethyl)piperidin-1-yl]-(5-chlorofuran-2-yl)methanone;hydrochloride is sourced from PubChem (CID 119520111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).