1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(5-methyloxolan-2-yl)propan-1-one;hydrochloride

C15H29ClN2O2 — CID 120814805

IUPAC1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(5-methyloxolan-2-yl)propan-1-one;hydrochloride
SMILESCC1CCC(CCC(=O)N2CCC(N)C(C)(C)C2)O1.Cl
InChIInChI=1S/C15H28N2O2.ClH/c1-11-4-5-12(19-11)6-7-14(18)17-9-8-13(16)15(2,3)10-17;/h11-13H,4-10,16H2,1-3H3;1H
InChIKeyNWNYLQAUJIWLKD-UHFFFAOYSA-N
MW304.86 g/mol
LogP2.34
Rot. Bonds3

About 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(5-methyloxolan-2-yl)propan-1-one;hydrochloride

1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(5-methyloxolan-2-yl)propan-1-one;hydrochloride (PubChem CID 120814805) 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-(5-methyloxolan-2-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(5-methyloxolan-2-yl)propan-1-one;hydrochloride
PubChem CID120814805
Molecular FormulaC15H29ClN2O2
Molecular Weight304.86 g/mol
Exact Mass304.19
IUPAC Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(5-methyloxolan-2-yl)propan-1-one;hydrochloride
SMILESCC1CCC(CCC(=O)N2CCC(N)C(C)(C)C2)O1.Cl
InChIInChI=1S/C15H28N2O2.ClH/c1-11-4-5-12(19-11)6-7-14(18)17-9-8-13(16)15(2,3)10-17;/h11-13H,4-10,16H2,1-3H3;1H
InChIKeyNWNYLQAUJIWLKD-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)-3-(oxan-2-yl)propan-1-one;hydrochloride
CID 120815683
1-[4-(aminomethyl)piperidin-1-yl]-3-(5-methyloxolan-2-yl)propan-1-one;hydrochloride
CID 119423632
3-(5-methyloxolan-2-yl)-1-piperazin-1-ylpropan-1-one
CID 119402493
1-(4-amino-3,3-dimethylpiperidin-1-yl)-4-methylsulfanylbutan-1-one;hydrochloride
CID 120816541
1-(4-amino-3,3-dimethylpiperidin-1-yl)-4-ethoxybutan-1-one;hydrochloride
CID 120819208
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(oxan-4-yl)ethanone;hydrochloride
CID 120817590
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(5-methyloxolan-2-yl)propan-1-one
CID 119646888
1-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione
CID 120817801
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3,3,5-trimethylcyclohexyl)ethanone;hydrochloride
CID 120817383
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(oxan-2-yl)ethanone;hydrochloride
CID 120815605
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-3-(5-methyloxolan-2-yl)propan-1-one;hydrochloride
CID 120746682
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-phenylpropan-1-one
CID 115269770

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(5-methyloxolan-2-yl)propan-1-one;hydrochloride?
The IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(5-methyloxolan-2-yl)propan-1-one;hydrochloride (CID 120814805) is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(5-methyloxolan-2-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(5-methyloxolan-2-yl)propan-1-one;hydrochloride?
The canonical SMILES for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(5-methyloxolan-2-yl)propan-1-one;hydrochloride is CC1CCC(CCC(=O)N2CCC(N)C(C)(C)C2)O1.Cl.
What is the InChIKey of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(5-methyloxolan-2-yl)propan-1-one;hydrochloride?
The InChIKey is NWNYLQAUJIWLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2.ClH/c1-11-4-5-12(19-11)6-7-14(18)17-9-8-13(16)15(2,3)10-17;/h11-13H,4-10,16H2,1-3H3;1H.
What are the key properties of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(5-methyloxolan-2-yl)propan-1-one;hydrochloride?
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(5-methyloxolan-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-(5-methyloxolan-2-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 120814805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).