1-(4-amino-4-methylpiperidin-1-yl)-2-methylpropan-1-one;hydrochloride

C10H21ClN2O — CID 130891514

IUPAC1-(4-amino-4-methylpiperidin-1-yl)-2-methylpropan-1-one;hydrochloride
SMILESCC(C)C(=O)N1CCC(C)(N)CC1.Cl
InChIInChI=1S/C10H20N2O.ClH/c1-8(2)9(13)12-6-4-10(3,11)5-7-12;/h8H,4-7,11H2,1-3H3;1H
InChIKeyMLELURIVXRZUBB-UHFFFAOYSA-N
MW220.74 g/mol
LogP1.40
Rot. Bonds1

About 1-(4-amino-4-methylpiperidin-1-yl)-2-methylpropan-1-one;hydrochloride

1-(4-amino-4-methylpiperidin-1-yl)-2-methylpropan-1-one;hydrochloride (PubChem CID 130891514) has the molecular formula C10H21ClN2O and a molecular weight of 220.74 g/mol. Its IUPAC name is 1-(4-amino-4-methylpiperidin-1-yl)-2-methylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(4-amino-4-methylpiperidin-1-yl)-2-methylpropan-1-one;hydrochloride
PubChem CID130891514
Molecular FormulaC10H21ClN2O
Molecular Weight220.74 g/mol
Exact Mass220.13
IUPAC Name1-(4-amino-4-methylpiperidin-1-yl)-2-methylpropan-1-one;hydrochloride
SMILESCC(C)C(=O)N1CCC(C)(N)CC1.Cl
InChIInChI=1S/C10H20N2O.ClH/c1-8(2)9(13)12-6-4-10(3,11)5-7-12;/h8H,4-7,11H2,1-3H3;1H
InChIKeyMLELURIVXRZUBB-UHFFFAOYSA-N
XLogP1.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.74
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylpropan-1-one
CID 107160042
1-(7-azaspiro[3.5]nonan-7-yl)-2-methylpropan-1-one
CID 130721457
1-(3,3-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one;ethane
CID 177053716
1-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 119269732
1-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-methylpropan-1-one
CID 107300674
2-methyl-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-1-one
CID 118444436
1-(4-amino-4-methylpiperidin-1-yl)butan-1-one;hydrochloride
CID 130718845
1-(4,4-diethylpiperidin-1-yl)-2-methylpropan-1-one;ethane
CID 91334879
2-methyl-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)propan-1-one
CID 167326865
(4-amino-4-methylpiperidin-1-yl)-cyclopropylmethanone;hydrochloride
CID 130809222
1-(2-methylpropanoyl)-4-(trifluoromethyl)piperidine-4-carboxylic acid
CID 118217440
3-methyl-1-(2-methylpropanoyl)pyrrolidine-3-carboxylic acid
CID 63142722

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-4-methylpiperidin-1-yl)-2-methylpropan-1-one;hydrochloride?
The IUPAC name of 1-(4-amino-4-methylpiperidin-1-yl)-2-methylpropan-1-one;hydrochloride (CID 130891514) is 1-(4-amino-4-methylpiperidin-1-yl)-2-methylpropan-1-one;hydrochloride.
What is the SMILES notation for 1-(4-amino-4-methylpiperidin-1-yl)-2-methylpropan-1-one;hydrochloride?
The canonical SMILES for 1-(4-amino-4-methylpiperidin-1-yl)-2-methylpropan-1-one;hydrochloride is CC(C)C(=O)N1CCC(C)(N)CC1.Cl.
What is the InChIKey of 1-(4-amino-4-methylpiperidin-1-yl)-2-methylpropan-1-one;hydrochloride?
The InChIKey is MLELURIVXRZUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.ClH/c1-8(2)9(13)12-6-4-10(3,11)5-7-12;/h8H,4-7,11H2,1-3H3;1H.
What are the key properties of 1-(4-amino-4-methylpiperidin-1-yl)-2-methylpropan-1-one;hydrochloride?
1-(4-amino-4-methylpiperidin-1-yl)-2-methylpropan-1-one;hydrochloride has a molecular weight of 220.74 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-4-methylpiperidin-1-yl)-2-methylpropan-1-one;hydrochloride is sourced from PubChem (CID 130891514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).