(2R)-2-amino-1-[2-(aminomethyl)-4-methylpiperidin-1-yl]propan-1-one;hydrochloride

C10H22ClN3O — CID 130743724

IUPAC(2R)-2-amino-1-[2-(aminomethyl)-4-methylpiperidin-1-yl]propan-1-one;hydrochloride
SMILESCC1CCN(C(=O)[C@@H](C)N)C(CN)C1.Cl
InChIInChI=1S/C10H21N3O.ClH/c1-7-3-4-13(9(5-7)6-11)10(14)8(2)12;/h7-9H,3-6,11-12H2,1-2H3;1H/t7?,8-,9?;/m1./s1
InChIKeyKMZFBYXVLGCFTB-NHLJRWNWSA-N
MW235.76 g/mol
LogP0.34
Rot. Bonds2

About (2R)-2-amino-1-[2-(aminomethyl)-4-methylpiperidin-1-yl]propan-1-one;hydrochloride

(2R)-2-amino-1-[2-(aminomethyl)-4-methylpiperidin-1-yl]propan-1-one;hydrochloride (PubChem CID 130743724) has the molecular formula C10H22ClN3O and a molecular weight of 235.76 g/mol. Its IUPAC name is (2R)-2-amino-1-[2-(aminomethyl)-4-methylpiperidin-1-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-1-[2-(aminomethyl)-4-methylpiperidin-1-yl]propan-1-one;hydrochloride
PubChem CID130743724
Molecular FormulaC10H22ClN3O
Molecular Weight235.76 g/mol
Exact Mass235.15
IUPAC Name(2R)-2-amino-1-[2-(aminomethyl)-4-methylpiperidin-1-yl]propan-1-one;hydrochloride
SMILESCC1CCN(C(=O)[C@@H](C)N)C(CN)C1.Cl
InChIInChI=1S/C10H21N3O.ClH/c1-7-3-4-13(9(5-7)6-11)10(14)8(2)12;/h7-9H,3-6,11-12H2,1-2H3;1H/t7?,8-,9?;/m1./s1
InChIKeyKMZFBYXVLGCFTB-NHLJRWNWSA-N
XLogP0.34
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.76
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-4-methyl-N-propan-2-ylpiperidine-1-carboxamide
CID 103441340
2-(aminomethyl)-N,N,4-trimethylpiperidine-1-carboxamide
CID 103441346
1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylsulfonylethanone
CID 103440864
1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-4-methylpentan-1-one
CID 103440808
1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-3,4,4-trimethylpentan-1-one
CID 103441005
(2R)-2-amino-1-(3,5-dimethylazepan-1-yl)propan-1-one
CID 130747616
2-amino-1-(4-methylpiperidin-1-yl)propan-1-one
CID 18715079
1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-4-ethoxybutan-1-one
CID 103440873
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(1,1-dioxothiolan-3-yl)methanone
CID 103440929
1-(2-aminopropanoyl)-2-methylpiperidine-4-carboxylic acid
CID 106742949
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4,6-trifluorophenyl)methanone
CID 103441080
2-(aminomethyl)-4-methyl-N-phenylpiperidine-1-carboxamide
CID 103441332

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[2-(aminomethyl)-4-methylpiperidin-1-yl]propan-1-one;hydrochloride?
The IUPAC name of (2R)-2-amino-1-[2-(aminomethyl)-4-methylpiperidin-1-yl]propan-1-one;hydrochloride (CID 130743724) is (2R)-2-amino-1-[2-(aminomethyl)-4-methylpiperidin-1-yl]propan-1-one;hydrochloride.
What is the SMILES notation for (2R)-2-amino-1-[2-(aminomethyl)-4-methylpiperidin-1-yl]propan-1-one;hydrochloride?
The canonical SMILES for (2R)-2-amino-1-[2-(aminomethyl)-4-methylpiperidin-1-yl]propan-1-one;hydrochloride is CC1CCN(C(=O)[C@@H](C)N)C(CN)C1.Cl.
What is the InChIKey of (2R)-2-amino-1-[2-(aminomethyl)-4-methylpiperidin-1-yl]propan-1-one;hydrochloride?
The InChIKey is KMZFBYXVLGCFTB-NHLJRWNWSA-N. The full InChI is InChI=1S/C10H21N3O.ClH/c1-7-3-4-13(9(5-7)6-11)10(14)8(2)12;/h7-9H,3-6,11-12H2,1-2H3;1H/t7?,8-,9?;/m1./s1.
What are the key properties of (2R)-2-amino-1-[2-(aminomethyl)-4-methylpiperidin-1-yl]propan-1-one;hydrochloride?
(2R)-2-amino-1-[2-(aminomethyl)-4-methylpiperidin-1-yl]propan-1-one;hydrochloride has a molecular weight of 235.76 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[2-(aminomethyl)-4-methylpiperidin-1-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 130743724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).