1-(3,5-dimethylpiperazin-1-yl)-4,4-dimethylpentan-1-one;hydrochloride

C13H27ClN2O — CID 119564749

IUPAC1-(3,5-dimethylpiperazin-1-yl)-4,4-dimethylpentan-1-one;hydrochloride
SMILESCC1CN(C(=O)CCC(C)(C)C)CC(C)N1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-10-8-15(9-11(2)14-10)12(16)6-7-13(3,4)5;/h10-11,14H,6-9H2,1-5H3;1H
InChIKeyDQXAEVKMWFBLCF-UHFFFAOYSA-N
MW262.82 g/mol
LogP2.44
Rot. Bonds2

About 1-(3,5-dimethylpiperazin-1-yl)-4,4-dimethylpentan-1-one;hydrochloride

1-(3,5-dimethylpiperazin-1-yl)-4,4-dimethylpentan-1-one;hydrochloride (PubChem CID 119564749) has the molecular formula C13H27ClN2O and a molecular weight of 262.82 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperazin-1-yl)-4,4-dimethylpentan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(3,5-dimethylpiperazin-1-yl)-4,4-dimethylpentan-1-one;hydrochloride
PubChem CID119564749
Molecular FormulaC13H27ClN2O
Molecular Weight262.82 g/mol
Exact Mass262.18
IUPAC Name1-(3,5-dimethylpiperazin-1-yl)-4,4-dimethylpentan-1-one;hydrochloride
SMILESCC1CN(C(=O)CCC(C)(C)C)CC(C)N1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-10-8-15(9-11(2)14-10)12(16)6-7-13(3,4)5;/h10-11,14H,6-9H2,1-5H3;1H
InChIKeyDQXAEVKMWFBLCF-UHFFFAOYSA-N
XLogP2.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.82
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-dimethyl-1-(3-methylpiperazin-1-yl)pentan-1-one;hydrochloride
CID 119580889
(3S,4S)-1-(4,4-dimethylpentanoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 120953561
4,4-dimethyl-1-(4-methylpiperidin-1-yl)pentan-1-one
CID 70915057
1-(3,5-dimethylpiperazin-1-yl)-3,4,4-trimethylpentan-1-one
CID 63871945
1-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-methylbutan-1-one
CID 59272651
tert-butyl (3S,5S)-3,5-dimethylpiperazine-1-carboxylate;hydrochloride
CID 71720972
1-(3,5-dimethylpiperazin-1-yl)-3-(oxan-4-yloxy)propan-1-one;hydrochloride
CID 119564455
1-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 124589038
(3S,4S)-1-(5,5-dimethylhexanoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 120952384
(3S)-3,5-dimethylpiperazine-1-carboxylic acid
CID 175425054
1-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 124574556
1-(3-aminopiperidin-1-yl)-4,4-dimethylpentan-1-one
CID 115277222

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperazin-1-yl)-4,4-dimethylpentan-1-one;hydrochloride?
The IUPAC name of 1-(3,5-dimethylpiperazin-1-yl)-4,4-dimethylpentan-1-one;hydrochloride (CID 119564749) is 1-(3,5-dimethylpiperazin-1-yl)-4,4-dimethylpentan-1-one;hydrochloride.
What is the SMILES notation for 1-(3,5-dimethylpiperazin-1-yl)-4,4-dimethylpentan-1-one;hydrochloride?
The canonical SMILES for 1-(3,5-dimethylpiperazin-1-yl)-4,4-dimethylpentan-1-one;hydrochloride is CC1CN(C(=O)CCC(C)(C)C)CC(C)N1.Cl.
What is the InChIKey of 1-(3,5-dimethylpiperazin-1-yl)-4,4-dimethylpentan-1-one;hydrochloride?
The InChIKey is DQXAEVKMWFBLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.ClH/c1-10-8-15(9-11(2)14-10)12(16)6-7-13(3,4)5;/h10-11,14H,6-9H2,1-5H3;1H.
What are the key properties of 1-(3,5-dimethylpiperazin-1-yl)-4,4-dimethylpentan-1-one;hydrochloride?
1-(3,5-dimethylpiperazin-1-yl)-4,4-dimethylpentan-1-one;hydrochloride has a molecular weight of 262.82 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperazin-1-yl)-4,4-dimethylpentan-1-one;hydrochloride is sourced from PubChem (CID 119564749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).