(2S)-2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-4-methylpentan-1-one;hydrochloride

C14H29ClN2O — CID 119789098

IUPAC(2S)-2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-4-methylpentan-1-one;hydrochloride
SMILESCCC1(C)CCCN(C(=O)[C@@H](N)CC(C)C)C1.Cl
InChIInChI=1S/C14H28N2O.ClH/c1-5-14(4)7-6-8-16(10-14)13(17)12(15)9-11(2)3;/h11-12H,5-10,15H2,1-4H3;1H/t12-,14?;/m0./s1
InChIKeySJTRWCAVFBHNBQ-GUDMUQDVSA-N
MW276.85 g/mol
LogP2.82
Rot. Bonds4

About (2S)-2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-4-methylpentan-1-one;hydrochloride

(2S)-2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-4-methylpentan-1-one;hydrochloride (PubChem CID 119789098) has the molecular formula C14H29ClN2O and a molecular weight of 276.85 g/mol. Its IUPAC name is (2S)-2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-4-methylpentan-1-one;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-4-methylpentan-1-one;hydrochloride
PubChem CID119789098
Molecular FormulaC14H29ClN2O
Molecular Weight276.85 g/mol
Exact Mass276.20
IUPAC Name(2S)-2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-4-methylpentan-1-one;hydrochloride
SMILESCCC1(C)CCCN(C(=O)[C@@H](N)CC(C)C)C1.Cl
InChIInChI=1S/C14H28N2O.ClH/c1-5-14(4)7-6-8-16(10-14)13(17)12(15)9-11(2)3;/h11-12H,5-10,15H2,1-4H3;1H/t12-,14?;/m0./s1
InChIKeySJTRWCAVFBHNBQ-GUDMUQDVSA-N
XLogP2.82
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.85
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-4-methylpentan-1-one
CID 119789099
(2S)-2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)propan-1-one
CID 130762944
2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-3-methoxypropan-1-one;hydrochloride
CID 120991246
(2S)-2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-4-methylpentan-1-one;hydrochloride
CID 119784790
3-amino-1-(3-ethyl-3-methylpiperidin-1-yl)butan-1-one;hydrochloride
CID 119789084
(2S)-2-amino-1-(4,4-dimethylazepan-1-yl)-4-methylpentan-1-one
CID 65281035
(2S)-2-amino-1-(4-hydroxy-4-methylazepan-1-yl)-4-methylpentan-1-one
CID 107404240
2-amino-4-methyl-1-pyrrolidin-1-ylpentan-1-one
CID 20500850
2-amino-1-(3-ethyl-3-methylpyrrolidin-1-yl)-3-methoxypropan-1-one;hydrochloride
CID 120992499
(2R)-2-amino-1-(3-methyl-3-propylpiperidin-1-yl)propan-1-one;hydrochloride
CID 119328269
(2S)-2-amino-4-methyl-1-piperidin-1-ylpentan-1-one
CID 22690990
1-(2-amino-4-methylpentanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63144084

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-4-methylpentan-1-one;hydrochloride?
The IUPAC name of (2S)-2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-4-methylpentan-1-one;hydrochloride (CID 119789098) is (2S)-2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-4-methylpentan-1-one;hydrochloride.
What is the SMILES notation for (2S)-2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-4-methylpentan-1-one;hydrochloride?
The canonical SMILES for (2S)-2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-4-methylpentan-1-one;hydrochloride is CCC1(C)CCCN(C(=O)[C@@H](N)CC(C)C)C1.Cl.
What is the InChIKey of (2S)-2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-4-methylpentan-1-one;hydrochloride?
The InChIKey is SJTRWCAVFBHNBQ-GUDMUQDVSA-N. The full InChI is InChI=1S/C14H28N2O.ClH/c1-5-14(4)7-6-8-16(10-14)13(17)12(15)9-11(2)3;/h11-12H,5-10,15H2,1-4H3;1H/t12-,14?;/m0./s1.
What are the key properties of (2S)-2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-4-methylpentan-1-one;hydrochloride?
(2S)-2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-4-methylpentan-1-one;hydrochloride has a molecular weight of 276.85 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-4-methylpentan-1-one;hydrochloride is sourced from PubChem (CID 119789098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).