1-(4-aminopiperidin-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione;hydrochloride

C17H25ClN2O3 — CID 119376549

IUPAC1-(4-aminopiperidin-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione;hydrochloride
SMILESCCOc1ccc(C(=O)CCC(=O)N2CCC(N)CC2)cc1.Cl
InChIInChI=1S/C17H24N2O3.ClH/c1-2-22-15-5-3-13(4-6-15)16(20)7-8-17(21)19-11-9-14(18)10-12-19;/h3-6,14H,2,7-12,18H2,1H3;1H
InChIKeyQOROAWPGDDJGOW-UHFFFAOYSA-N
MW340.85 g/mol
LogP2.42
Rot. Bonds6

About 1-(4-aminopiperidin-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione;hydrochloride

1-(4-aminopiperidin-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione;hydrochloride (PubChem CID 119376549) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione;hydrochloride.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione;hydrochloride
PubChem CID119376549
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC Name1-(4-aminopiperidin-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione;hydrochloride
SMILESCCOc1ccc(C(=O)CCC(=O)N2CCC(N)CC2)cc1.Cl
InChIInChI=1S/C17H24N2O3.ClH/c1-2-22-15-5-3-13(4-6-15)16(20)7-8-17(21)19-11-9-14(18)10-12-19;/h3-6,14H,2,7-12,18H2,1H3;1H
InChIKeyQOROAWPGDDJGOW-UHFFFAOYSA-N
XLogP2.42
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-aminopiperidin-1-yl)-4-(4-methoxyphenyl)butane-1,4-dione;hydrochloride
CID 119374647
1-[4-(1-aminoethyl)piperidin-1-yl]-4-(4-ethoxyphenyl)butane-1,4-dione;hydrochloride
CID 119520572
1-(4-aminopiperidin-1-yl)-4-(4-ethoxyphenoxy)butan-1-one;hydrochloride
CID 119373343
1-(3-aminopiperidin-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione
CID 119381396
methyl 1-[4-(4-ethoxyphenyl)-4-oxobutanoyl]piperidine-4-carboxylate
CID 4800489
1-(4-acetylpiperazin-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione
CID 78777689
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-4-(4-ethoxyphenyl)butane-1,4-dione;hydrochloride
CID 119639024
1-(4-aminopiperidin-1-yl)-4-(3,4-dipropoxyphenyl)butane-1,4-dione;hydrochloride
CID 119373019
(3-aminopyrrolidin-1-yl)-(4-ethoxyphenyl)methanone
CID 62068283
(4-ethoxyphenyl) 4-aminopiperidine-1-carboxylate
CID 116819285
1-(3-aminopiperidin-1-yl)-4-(4-propoxyphenyl)butane-1,4-dione
CID 119377036
(E)-1-(4-aminopiperidin-1-yl)-3-(4-ethoxyphenyl)prop-2-en-1-one
CID 82043241

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione;hydrochloride?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione;hydrochloride (CID 119376549) is 1-(4-aminopiperidin-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione;hydrochloride.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione;hydrochloride?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione;hydrochloride is CCOc1ccc(C(=O)CCC(=O)N2CCC(N)CC2)cc1.Cl.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione;hydrochloride?
The InChIKey is QOROAWPGDDJGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3.ClH/c1-2-22-15-5-3-13(4-6-15)16(20)7-8-17(21)19-11-9-14(18)10-12-19;/h3-6,14H,2,7-12,18H2,1H3;1H.
What are the key properties of 1-(4-aminopiperidin-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione;hydrochloride?
1-(4-aminopiperidin-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione;hydrochloride has a molecular weight of 340.85 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione;hydrochloride is sourced from PubChem (CID 119376549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).