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

C16H23ClN2O3 — CID 119374647

IUPAC1-(4-aminopiperidin-1-yl)-4-(4-methoxyphenyl)butane-1,4-dione;hydrochloride
SMILESCOc1ccc(C(=O)CCC(=O)N2CCC(N)CC2)cc1.Cl
InChIInChI=1S/C16H22N2O3.ClH/c1-21-14-4-2-12(3-5-14)15(19)6-7-16(20)18-10-8-13(17)9-11-18;/h2-5,13H,6-11,17H2,1H3;1H
InChIKeyFJZNLYTUVLSNFE-UHFFFAOYSA-N
MW326.82 g/mol
LogP2.03
Rot. Bonds5

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

1-(4-aminopiperidin-1-yl)-4-(4-methoxyphenyl)butane-1,4-dione;hydrochloride (PubChem CID 119374647) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-4-(4-methoxyphenyl)butane-1,4-dione;hydrochloride.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-4-(4-methoxyphenyl)butane-1,4-dione;hydrochloride
PubChem CID119374647
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC Name1-(4-aminopiperidin-1-yl)-4-(4-methoxyphenyl)butane-1,4-dione;hydrochloride
SMILESCOc1ccc(C(=O)CCC(=O)N2CCC(N)CC2)cc1.Cl
InChIInChI=1S/C16H22N2O3.ClH/c1-21-14-4-2-12(3-5-14)15(19)6-7-16(20)18-10-8-13(17)9-11-18;/h2-5,13H,6-11,17H2,1H3;1H
InChIKeyFJZNLYTUVLSNFE-UHFFFAOYSA-N
XLogP2.03
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-aminopiperidin-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione;hydrochloride
CID 119376549
1-(4-methoxyphenyl)-4-piperazin-1-ylbutane-1,4-dione;hydrochloride
CID 119401755
ethyl 4-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperazine-1-carboxylate
CID 6620519
1-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-4-(4-methylphenyl)butane-1,4-dione
CID 55465062
1-(4-aminopiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 82042591
1-(4-amino-3,3-dimethylpiperidin-1-yl)-5-(4-methoxyphenyl)pentane-1,5-dione;hydrochloride
CID 120818369
1-(4-aminopiperidin-1-yl)-4-(3,4-dipropoxyphenyl)butane-1,4-dione;hydrochloride
CID 119373019
1-[4-(3-aminopropoxy)piperidin-1-yl]-5-(4-methoxyphenyl)pentane-1,5-dione;hydrochloride
CID 119662784
1-[(3S)-3-aminopyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one;hydrochloride
CID 119934448
1-[(3R,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-4-(4-methoxyphenyl)butane-1,4-dione
CID 133125787
1-[3-(ethoxymethyl)piperidin-1-yl]-4-(4-methoxyphenyl)butane-1,4-dione
CID 110610297
1-(4-aminopiperidin-1-yl)-4-(2,3-dihydro-1H-inden-5-yl)butane-1,4-dione;hydrochloride
CID 119373561

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-4-(4-methoxyphenyl)butane-1,4-dione;hydrochloride?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-4-(4-methoxyphenyl)butane-1,4-dione;hydrochloride (CID 119374647) is 1-(4-aminopiperidin-1-yl)-4-(4-methoxyphenyl)butane-1,4-dione;hydrochloride.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-4-(4-methoxyphenyl)butane-1,4-dione;hydrochloride?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-4-(4-methoxyphenyl)butane-1,4-dione;hydrochloride is COc1ccc(C(=O)CCC(=O)N2CCC(N)CC2)cc1.Cl.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-4-(4-methoxyphenyl)butane-1,4-dione;hydrochloride?
The InChIKey is FJZNLYTUVLSNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3.ClH/c1-21-14-4-2-12(3-5-14)15(19)6-7-16(20)18-10-8-13(17)9-11-18;/h2-5,13H,6-11,17H2,1H3;1H.
What are the key properties of 1-(4-aminopiperidin-1-yl)-4-(4-methoxyphenyl)butane-1,4-dione;hydrochloride?
1-(4-aminopiperidin-1-yl)-4-(4-methoxyphenyl)butane-1,4-dione;hydrochloride has a molecular weight of 326.82 g/mol, XLogP of 2.03, 5 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-methoxyphenyl)butane-1,4-dione;hydrochloride is sourced from PubChem (CID 119374647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).