3-amino-1-[2-(2-methylpropyl)piperidin-1-yl]propan-1-one;hydrochloride

C12H25ClN2O — CID 119334196

IUPAC3-amino-1-[2-(2-methylpropyl)piperidin-1-yl]propan-1-one;hydrochloride
SMILESCC(C)CC1CCCCN1C(=O)CCN.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-10(2)9-11-5-3-4-8-14(11)12(15)6-7-13;/h10-11H,3-9,13H2,1-2H3;1H
InChIKeyBUNRNELTGFLRIW-UHFFFAOYSA-N
MW248.80 g/mol
LogP2.18
Rot. Bonds4

About 3-amino-1-[2-(2-methylpropyl)piperidin-1-yl]propan-1-one;hydrochloride

3-amino-1-[2-(2-methylpropyl)piperidin-1-yl]propan-1-one;hydrochloride (PubChem CID 119334196) has the molecular formula C12H25ClN2O and a molecular weight of 248.80 g/mol. Its IUPAC name is 3-amino-1-[2-(2-methylpropyl)piperidin-1-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name3-amino-1-[2-(2-methylpropyl)piperidin-1-yl]propan-1-one;hydrochloride
PubChem CID119334196
Molecular FormulaC12H25ClN2O
Molecular Weight248.80 g/mol
Exact Mass248.17
IUPAC Name3-amino-1-[2-(2-methylpropyl)piperidin-1-yl]propan-1-one;hydrochloride
SMILESCC(C)CC1CCCCN1C(=O)CCN.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-10(2)9-11-5-3-4-8-14(11)12(15)6-7-13;/h10-11H,3-9,13H2,1-2H3;1H
InChIKeyBUNRNELTGFLRIW-UHFFFAOYSA-N
XLogP2.18
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

3-amino-1-[2-(2-methylpropyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119802212
3-amino-1-[(2S)-2-(ethoxymethyl)piperidin-1-yl]propan-1-one
CID 129323138
1-[2-(2-hydroxypropyl)azepan-1-yl]-4-methylpentan-1-one
CID 79560929
1-[2-(aminomethyl)piperidin-1-yl]-3-(4-methylpentan-2-yloxy)propan-1-one;hydrochloride
CID 119469367
3-amino-1-(2-methylpiperidin-1-yl)propan-1-one
CID 16796103
3-amino-1-[2-(methoxymethyl)pyrrolidin-1-yl]propan-1-one
CID 83624626
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(2-methylpropyl)piperidin-1-yl]methanone;hydrochloride
CID 120794811
1-(2-ethylpiperidin-1-yl)-4-methylpentan-1-one
CID 150449781
3-amino-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 83620444
1-[2-(2-aminoethyl)piperidin-1-yl]butan-1-one
CID 63754291
2-[(2S)-1-(4-methylpentanoyl)piperidin-2-yl]acetamide
CID 95296140
6-amino-1-(2-ethylazepan-1-yl)-4-methylhexan-1-one
CID 113441676

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-(2-methylpropyl)piperidin-1-yl]propan-1-one;hydrochloride?
The IUPAC name of 3-amino-1-[2-(2-methylpropyl)piperidin-1-yl]propan-1-one;hydrochloride (CID 119334196) is 3-amino-1-[2-(2-methylpropyl)piperidin-1-yl]propan-1-one;hydrochloride.
What is the SMILES notation for 3-amino-1-[2-(2-methylpropyl)piperidin-1-yl]propan-1-one;hydrochloride?
The canonical SMILES for 3-amino-1-[2-(2-methylpropyl)piperidin-1-yl]propan-1-one;hydrochloride is CC(C)CC1CCCCN1C(=O)CCN.Cl.
What is the InChIKey of 3-amino-1-[2-(2-methylpropyl)piperidin-1-yl]propan-1-one;hydrochloride?
The InChIKey is BUNRNELTGFLRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.ClH/c1-10(2)9-11-5-3-4-8-14(11)12(15)6-7-13;/h10-11H,3-9,13H2,1-2H3;1H.
What are the key properties of 3-amino-1-[2-(2-methylpropyl)piperidin-1-yl]propan-1-one;hydrochloride?
3-amino-1-[2-(2-methylpropyl)piperidin-1-yl]propan-1-one;hydrochloride has a molecular weight of 248.80 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-(2-methylpropyl)piperidin-1-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 119334196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).