1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(oxan-2-yl)propan-1-one;hydrochloride

C15H29ClN2O2 — CID 120815683

IUPAC1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(oxan-2-yl)propan-1-one;hydrochloride
SMILESCC1(C)CN(C(=O)CCC2CCCCO2)CCC1N.Cl
InChIInChI=1S/C15H28N2O2.ClH/c1-15(2)11-17(9-8-13(15)16)14(18)7-6-12-5-3-4-10-19-12;/h12-13H,3-11,16H2,1-2H3;1H
InChIKeyKZIYOUMYPDGGMQ-UHFFFAOYSA-N
MW304.86 g/mol
LogP2.34
Rot. Bonds3

About 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(oxan-2-yl)propan-1-one;hydrochloride

1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(oxan-2-yl)propan-1-one;hydrochloride (PubChem CID 120815683) has the molecular formula C15H29ClN2O2 and a molecular weight of 304.86 g/mol. Its IUPAC name is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(oxan-2-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(oxan-2-yl)propan-1-one;hydrochloride
PubChem CID120815683
Molecular FormulaC15H29ClN2O2
Molecular Weight304.86 g/mol
Exact Mass304.19
IUPAC Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(oxan-2-yl)propan-1-one;hydrochloride
SMILESCC1(C)CN(C(=O)CCC2CCCCO2)CCC1N.Cl
InChIInChI=1S/C15H28N2O2.ClH/c1-15(2)11-17(9-8-13(15)16)14(18)7-6-12-5-3-4-10-19-12;/h12-13H,3-11,16H2,1-2H3;1H
InChIKeyKZIYOUMYPDGGMQ-UHFFFAOYSA-N
XLogP2.34
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.86
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(oxan-2-yl)ethanone;hydrochloride
CID 120815605
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(5-methyloxolan-2-yl)propan-1-one;hydrochloride
CID 120814805
1-(4-hydroxy-4-methylpiperidin-1-yl)-3-(oxan-2-yl)propan-1-one
CID 80707454
3-(oxan-2-yl)-1-piperazin-1-ylpropan-1-one
CID 63953500
N'-hydroxy-4-methyl-1-[3-(oxan-2-yl)propanoyl]piperidine-4-carboximidamide
CID 107162390
1-[4-(chloromethyl)piperidin-1-yl]-3-(oxan-2-yl)propan-1-one
CID 63951405
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(oxan-4-yl)ethanone;hydrochloride
CID 120817590
1-(4-amino-3,3-dimethylpiperidin-1-yl)-4-phenylbutane-1,4-dione
CID 120816946
1-[4-(1-aminoethyl)piperidin-1-yl]-3-(oxolan-2-yl)propan-1-one;hydrochloride
CID 119518131
1-(3-chloro-4-methylpiperidin-1-yl)-3-(oxan-2-yl)propan-1-one
CID 102961397
1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-(oxan-2-yl)propan-1-one
CID 114778648
1-(4-amino-3,3-dimethylpiperidin-1-yl)-4-methylsulfanylbutan-1-one;hydrochloride
CID 120816541

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(oxan-2-yl)propan-1-one;hydrochloride?
The IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(oxan-2-yl)propan-1-one;hydrochloride (CID 120815683) is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(oxan-2-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(oxan-2-yl)propan-1-one;hydrochloride?
The canonical SMILES for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(oxan-2-yl)propan-1-one;hydrochloride is CC1(C)CN(C(=O)CCC2CCCCO2)CCC1N.Cl.
What is the InChIKey of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(oxan-2-yl)propan-1-one;hydrochloride?
The InChIKey is KZIYOUMYPDGGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2.ClH/c1-15(2)11-17(9-8-13(15)16)14(18)7-6-12-5-3-4-10-19-12;/h12-13H,3-11,16H2,1-2H3;1H.
What are the key properties of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(oxan-2-yl)propan-1-one;hydrochloride?
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(oxan-2-yl)propan-1-one;hydrochloride has a molecular weight of 304.86 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(oxan-2-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 120815683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).