2-methyl-3-(methylamino)-1-(3-methyl-3-propylpiperidin-1-yl)propan-1-one;hydrochloride

C14H29ClN2O — CID 119791980

IUPAC2-methyl-3-(methylamino)-1-(3-methyl-3-propylpiperidin-1-yl)propan-1-one;hydrochloride
SMILESCCCC1(C)CCCN(C(=O)C(C)CNC)C1.Cl
InChIInChI=1S/C14H28N2O.ClH/c1-5-7-14(3)8-6-9-16(11-14)13(17)12(2)10-15-4;/h12,15H,5-11H2,1-4H3;1H
InChIKeyVPWXDPCWRVDUGZ-UHFFFAOYSA-N
MW276.85 g/mol
LogP2.69
Rot. Bonds5

About 2-methyl-3-(methylamino)-1-(3-methyl-3-propylpiperidin-1-yl)propan-1-one;hydrochloride

2-methyl-3-(methylamino)-1-(3-methyl-3-propylpiperidin-1-yl)propan-1-one;hydrochloride (PubChem CID 119791980) has the molecular formula C14H29ClN2O and a molecular weight of 276.85 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-1-(3-methyl-3-propylpiperidin-1-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-1-(3-methyl-3-propylpiperidin-1-yl)propan-1-one;hydrochloride
PubChem CID119791980
Molecular FormulaC14H29ClN2O
Molecular Weight276.85 g/mol
Exact Mass276.20
IUPAC Name2-methyl-3-(methylamino)-1-(3-methyl-3-propylpiperidin-1-yl)propan-1-one;hydrochloride
SMILESCCCC1(C)CCCN(C(=O)C(C)CNC)C1.Cl
InChIInChI=1S/C14H28N2O.ClH/c1-5-7-14(3)8-6-9-16(11-14)13(17)12(2)10-15-4;/h12,15H,5-11H2,1-4H3;1H
InChIKeyVPWXDPCWRVDUGZ-UHFFFAOYSA-N
XLogP2.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.85
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-1-(3-methyl-3-propylpiperidin-1-yl)propan-1-one;hydrochloride?
The IUPAC name of 2-methyl-3-(methylamino)-1-(3-methyl-3-propylpiperidin-1-yl)propan-1-one;hydrochloride (CID 119791980) is 2-methyl-3-(methylamino)-1-(3-methyl-3-propylpiperidin-1-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 2-methyl-3-(methylamino)-1-(3-methyl-3-propylpiperidin-1-yl)propan-1-one;hydrochloride?
The canonical SMILES for 2-methyl-3-(methylamino)-1-(3-methyl-3-propylpiperidin-1-yl)propan-1-one;hydrochloride is CCCC1(C)CCCN(C(=O)C(C)CNC)C1.Cl.
What is the InChIKey of 2-methyl-3-(methylamino)-1-(3-methyl-3-propylpiperidin-1-yl)propan-1-one;hydrochloride?
The InChIKey is VPWXDPCWRVDUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O.ClH/c1-5-7-14(3)8-6-9-16(11-14)13(17)12(2)10-15-4;/h12,15H,5-11H2,1-4H3;1H.
What are the key properties of 2-methyl-3-(methylamino)-1-(3-methyl-3-propylpiperidin-1-yl)propan-1-one;hydrochloride?
2-methyl-3-(methylamino)-1-(3-methyl-3-propylpiperidin-1-yl)propan-1-one;hydrochloride has a molecular weight of 276.85 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-1-(3-methyl-3-propylpiperidin-1-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 119791980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).