2-amino-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one;hydrochloride

C9H19ClN2O — CID 130694728

IUPAC2-amino-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one;hydrochloride
SMILESCC(N)C(=O)N1CCC[C@H](C)C1.Cl
InChIInChI=1S/C9H18N2O.ClH/c1-7-4-3-5-11(6-7)9(12)8(2)10;/h7-8H,3-6,10H2,1-2H3;1H/t7-,8?;/m0./s1
InChIKeyXXNUDRGSFYOBHD-JPPWUZRISA-N
MW206.72 g/mol
LogP1.01
Rot. Bonds1

About 2-amino-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one;hydrochloride

2-amino-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one;hydrochloride (PubChem CID 130694728) has the molecular formula C9H19ClN2O and a molecular weight of 206.72 g/mol. Its IUPAC name is 2-amino-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one;hydrochloride
PubChem CID130694728
Molecular FormulaC9H19ClN2O
Molecular Weight206.72 g/mol
Exact Mass206.12
IUPAC Name2-amino-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one;hydrochloride
SMILESCC(N)C(=O)N1CCC[C@H](C)C1.Cl
InChIInChI=1S/C9H18N2O.ClH/c1-7-4-3-5-11(6-7)9(12)8(2)10;/h7-8H,3-6,10H2,1-2H3;1H/t7-,8?;/m0./s1
InChIKeyXXNUDRGSFYOBHD-JPPWUZRISA-N
XLogP1.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.72
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(2S)-2-amino-1-[(3R)-3-fluoropiperidin-1-yl]propan-1-one
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(2S)-2-chloro-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one
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(2R)-2-amino-1-(3,5-dimethylazepan-1-yl)propan-1-one
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2-amino-1-(azetidin-1-yl)propan-1-one;hydrochloride
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(2S)-2-amino-1-(azetidin-1-yl)propan-1-one;hydrochloride
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2-amino-1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)propan-1-one
CID 63151715
(2S)-2-amino-1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)propan-1-one
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(2S)-2-amino-1-[(3S)-3-(difluoromethyl)piperidin-1-yl]propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one;hydrochloride (CID 130694728) is 2-amino-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one;hydrochloride is CC(N)C(=O)N1CCC[C@H](C)C1.Cl.
What is the InChIKey of 2-amino-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one;hydrochloride?
The InChIKey is XXNUDRGSFYOBHD-JPPWUZRISA-N. The full InChI is InChI=1S/C9H18N2O.ClH/c1-7-4-3-5-11(6-7)9(12)8(2)10;/h7-8H,3-6,10H2,1-2H3;1H/t7-,8?;/m0./s1.
What are the key properties of 2-amino-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one;hydrochloride?
2-amino-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one;hydrochloride has a molecular weight of 206.72 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 130694728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).