2-methyl-1-piperazin-1-ylhexan-1-one

C11H22N2O — CID 53216088

IUPAC2-methyl-1-piperazin-1-ylhexan-1-one
SMILESCCCCC(C)C(=O)N1CCNCC1
InChIInChI=1S/C11H22N2O/c1-3-4-5-10(2)11(14)13-8-6-12-7-9-13/h10,12H,3-9H2,1-2H3
InChIKeyWWZYARPJXBWMMR-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.24
Rot. Bonds4

About 2-methyl-1-piperazin-1-ylhexan-1-one

2-methyl-1-piperazin-1-ylhexan-1-one (PubChem CID 53216088) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-methyl-1-piperazin-1-ylhexan-1-one.

Molecular Properties

Compound Name2-methyl-1-piperazin-1-ylhexan-1-one
PubChem CID53216088
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-methyl-1-piperazin-1-ylhexan-1-one
SMILESCCCCC(C)C(=O)N1CCNCC1
InChIInChI=1S/C11H22N2O/c1-3-4-5-10(2)11(14)13-8-6-12-7-9-13/h10,12H,3-9H2,1-2H3
InChIKeyWWZYARPJXBWMMR-UHFFFAOYSA-N
XLogP1.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-amino-2-methyl-1-piperazin-1-ylheptan-1-one
CID 65292866
(2S)-2-amino-1-(1,4-diazepan-1-yl)hexan-1-one
CID 93315595
4-amino-1-(1,4-diazepan-1-yl)-2-methylbutan-1-one
CID 80542520
2-(piperazine-1-carbonyl)hexanamide
CID 154250198
(2R)-2-amino-N-[(2S)-1-oxo-1-(1,4,7,10-tetrazacyclododec-1-yl)dodecan-2-yl]propanamide
CID 139261944
2-methyl-1,3-di(piperazin-1-yl)propan-1-one
CID 82511421
2-octan-2-yloxy-1-piperazin-1-ylpropan-1-one
CID 43128277
(2S)-3-methoxy-2-methyl-1-piperazin-1-ylpropan-1-one
CID 96682051
(2S)-2-amino-1-piperazin-1-ylpentan-1-one
CID 93255588
zinc;(2S)-2-amino-1-(1,4,7,10-tetrazacyclododec-1-yl)dodecan-1-one;hydrate
CID 139261928
2-[4-(2-methylhexanoyl)-1,4-diazepan-1-yl]acetic acid
CID 114246008
4-(4-ethoxyphenyl)-2-methyl-1-piperazin-1-ylbutan-1-one
CID 83932209

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-piperazin-1-ylhexan-1-one?
The IUPAC name of 2-methyl-1-piperazin-1-ylhexan-1-one (CID 53216088) is 2-methyl-1-piperazin-1-ylhexan-1-one.
What is the SMILES notation for 2-methyl-1-piperazin-1-ylhexan-1-one?
The canonical SMILES for 2-methyl-1-piperazin-1-ylhexan-1-one is CCCCC(C)C(=O)N1CCNCC1.
What is the InChIKey of 2-methyl-1-piperazin-1-ylhexan-1-one?
The InChIKey is WWZYARPJXBWMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-4-5-10(2)11(14)13-8-6-12-7-9-13/h10,12H,3-9H2,1-2H3.
What are the key properties of 2-methyl-1-piperazin-1-ylhexan-1-one?
2-methyl-1-piperazin-1-ylhexan-1-one has a molecular weight of 198.31 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-piperazin-1-ylhexan-1-one is sourced from PubChem (CID 53216088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).