1-(4-aminopiperidin-1-yl)-2-methyl-2-(4-methylphenyl)propan-1-one;hydrochloride

C16H25ClN2O — CID 119373668

IUPAC1-(4-aminopiperidin-1-yl)-2-methyl-2-(4-methylphenyl)propan-1-one;hydrochloride
SMILESCc1ccc(C(C)(C)C(=O)N2CCC(N)CC2)cc1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-12-4-6-13(7-5-12)16(2,3)15(19)18-10-8-14(17)9-11-18;/h4-7,14H,8-11,17H2,1-3H3;1H
InChIKeyRZOHCBVDOHSGEN-UHFFFAOYSA-N
MW296.84 g/mol
LogP2.64
Rot. Bonds2

About 1-(4-aminopiperidin-1-yl)-2-methyl-2-(4-methylphenyl)propan-1-one;hydrochloride

1-(4-aminopiperidin-1-yl)-2-methyl-2-(4-methylphenyl)propan-1-one;hydrochloride (PubChem CID 119373668) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-2-methyl-2-(4-methylphenyl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-2-methyl-2-(4-methylphenyl)propan-1-one;hydrochloride
PubChem CID119373668
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name1-(4-aminopiperidin-1-yl)-2-methyl-2-(4-methylphenyl)propan-1-one;hydrochloride
SMILESCc1ccc(C(C)(C)C(=O)N2CCC(N)CC2)cc1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-12-4-6-13(7-5-12)16(2,3)15(19)18-10-8-14(17)9-11-18;/h4-7,14H,8-11,17H2,1-3H3;1H
InChIKeyRZOHCBVDOHSGEN-UHFFFAOYSA-N
XLogP2.64
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-aminopiperidin-1-yl)-2-(4-ethylphenyl)-2-methylpropan-1-one
CID 119374869
2-methyl-2-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one
CID 113198016
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-methyl-2-(4-methylphenyl)propan-1-one;hydrochloride
CID 119662200
2-methyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(4-methylphenyl)propan-1-one
CID 119539241
2-methyl-2-(4-methylphenyl)-1-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 110244181
1-[1-[2-methyl-2-(4-methylphenyl)propanoyl]piperidin-4-yl]imidazolidin-2-one
CID 71933552
2-(4-aminophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 80555880
2-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]-2-(4-methylphenyl)propan-1-one;hydrochloride
CID 119395655
1-[3-(1-aminoethyl)piperidin-1-yl]-2-methyl-2-(4-methylphenyl)propan-1-one
CID 119593580
2-methyl-2-(4-methylphenyl)-1-(3-methylpiperazin-1-yl)propan-1-one
CID 76800407
2-(4-aminophenyl)-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one
CID 80556796
1-[4-(1-aminoethyl)piperidin-1-yl]-2-methyl-2-phenylpropan-1-one;hydrochloride
CID 119517891

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-2-methyl-2-(4-methylphenyl)propan-1-one;hydrochloride?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-2-methyl-2-(4-methylphenyl)propan-1-one;hydrochloride (CID 119373668) is 1-(4-aminopiperidin-1-yl)-2-methyl-2-(4-methylphenyl)propan-1-one;hydrochloride.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-2-methyl-2-(4-methylphenyl)propan-1-one;hydrochloride?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-2-methyl-2-(4-methylphenyl)propan-1-one;hydrochloride is Cc1ccc(C(C)(C)C(=O)N2CCC(N)CC2)cc1.Cl.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-2-methyl-2-(4-methylphenyl)propan-1-one;hydrochloride?
The InChIKey is RZOHCBVDOHSGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O.ClH/c1-12-4-6-13(7-5-12)16(2,3)15(19)18-10-8-14(17)9-11-18;/h4-7,14H,8-11,17H2,1-3H3;1H.
What are the key properties of 1-(4-aminopiperidin-1-yl)-2-methyl-2-(4-methylphenyl)propan-1-one;hydrochloride?
1-(4-aminopiperidin-1-yl)-2-methyl-2-(4-methylphenyl)propan-1-one;hydrochloride has a molecular weight of 296.84 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-2-methyl-2-(4-methylphenyl)propan-1-one;hydrochloride is sourced from PubChem (CID 119373668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).