(2R)-2-amino-1-(3-methyl-3-propylpiperidin-1-yl)propan-1-one;hydrochloride

C12H25ClN2O — CID 119328269

IUPAC(2R)-2-amino-1-(3-methyl-3-propylpiperidin-1-yl)propan-1-one;hydrochloride
SMILESCCCC1(C)CCCN(C(=O)[C@@H](C)N)C1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-4-6-12(3)7-5-8-14(9-12)11(15)10(2)13;/h10H,4-9,13H2,1-3H3;1H/t10-,12?;/m1./s1
InChIKeyRCMIDJLKJCRTTK-CUVFJIIPSA-N
MW248.80 g/mol
LogP2.18
Rot. Bonds3

About (2R)-2-amino-1-(3-methyl-3-propylpiperidin-1-yl)propan-1-one;hydrochloride

(2R)-2-amino-1-(3-methyl-3-propylpiperidin-1-yl)propan-1-one;hydrochloride (PubChem CID 119328269) has the molecular formula C12H25ClN2O and a molecular weight of 248.80 g/mol. Its IUPAC name is (2R)-2-amino-1-(3-methyl-3-propylpiperidin-1-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-1-(3-methyl-3-propylpiperidin-1-yl)propan-1-one;hydrochloride
PubChem CID119328269
Molecular FormulaC12H25ClN2O
Molecular Weight248.80 g/mol
Exact Mass248.17
IUPAC Name(2R)-2-amino-1-(3-methyl-3-propylpiperidin-1-yl)propan-1-one;hydrochloride
SMILESCCCC1(C)CCCN(C(=O)[C@@H](C)N)C1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-4-6-12(3)7-5-8-14(9-12)11(15)10(2)13;/h10H,4-9,13H2,1-3H3;1H/t10-,12?;/m1./s1
InChIKeyRCMIDJLKJCRTTK-CUVFJIIPSA-N
XLogP2.18
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.80
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)propan-1-one
CID 130762944
2-methyl-3-(methylamino)-1-(3-methyl-3-propylpiperidin-1-yl)propan-1-one;hydrochloride
CID 119791980
(2S)-2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-4-methylpentan-1-one;hydrochloride
CID 119789098
(2R)-2-amino-1-(2-azaspiro[5.6]dodecan-2-yl)propan-1-one;hydrochloride
CID 119338501
4-amino-1-(3-methyl-3-propylpiperidin-1-yl)butan-1-one
CID 119328278
(2S)-2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-4-methylpentan-1-one
CID 119789099
2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-3-methoxypropan-1-one;hydrochloride
CID 120991246
3-amino-1-(3-ethyl-3-methylpiperidin-1-yl)butan-1-one;hydrochloride
CID 119789084
(2R)-2-amino-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119339754
(3-amino-2-bicyclo[2.2.1]heptanyl)-(3-methyl-3-propylpiperidin-1-yl)methanone;hydrochloride
CID 119791962
2-methyl-N-[2-[[N-methyl-C-(3-methyl-3-propylpiperidin-1-yl)carbonimidoyl]amino]ethyl]propanamide
CID 109490153
2-amino-1-(azetidin-1-yl)propan-1-one;hydrochloride
CID 53484454

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(3-methyl-3-propylpiperidin-1-yl)propan-1-one;hydrochloride?
The IUPAC name of (2R)-2-amino-1-(3-methyl-3-propylpiperidin-1-yl)propan-1-one;hydrochloride (CID 119328269) is (2R)-2-amino-1-(3-methyl-3-propylpiperidin-1-yl)propan-1-one;hydrochloride.
What is the SMILES notation for (2R)-2-amino-1-(3-methyl-3-propylpiperidin-1-yl)propan-1-one;hydrochloride?
The canonical SMILES for (2R)-2-amino-1-(3-methyl-3-propylpiperidin-1-yl)propan-1-one;hydrochloride is CCCC1(C)CCCN(C(=O)[C@@H](C)N)C1.Cl.
What is the InChIKey of (2R)-2-amino-1-(3-methyl-3-propylpiperidin-1-yl)propan-1-one;hydrochloride?
The InChIKey is RCMIDJLKJCRTTK-CUVFJIIPSA-N. The full InChI is InChI=1S/C12H24N2O.ClH/c1-4-6-12(3)7-5-8-14(9-12)11(15)10(2)13;/h10H,4-9,13H2,1-3H3;1H/t10-,12?;/m1./s1.
What are the key properties of (2R)-2-amino-1-(3-methyl-3-propylpiperidin-1-yl)propan-1-one;hydrochloride?
(2R)-2-amino-1-(3-methyl-3-propylpiperidin-1-yl)propan-1-one;hydrochloride has a molecular weight of 248.80 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(3-methyl-3-propylpiperidin-1-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 119328269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).