1-(4-propan-2-ylpiperazin-1-yl)-2-propylhexan-1-one

C16H32N2O — CID 166996653

IUPAC1-(4-propan-2-ylpiperazin-1-yl)-2-propylhexan-1-one
SMILESCCCCC(CCC)C(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C16H32N2O/c1-5-7-9-15(8-6-2)16(19)18-12-10-17(11-13-18)14(3)4/h14-15H,5-13H2,1-4H3
InChIKeyCTUGCZXJZLVROW-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.15
Rot. Bonds7

About 1-(4-propan-2-ylpiperazin-1-yl)-2-propylhexan-1-one

1-(4-propan-2-ylpiperazin-1-yl)-2-propylhexan-1-one (PubChem CID 166996653) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-(4-propan-2-ylpiperazin-1-yl)-2-propylhexan-1-one.

Molecular Properties

Compound Name1-(4-propan-2-ylpiperazin-1-yl)-2-propylhexan-1-one
PubChem CID166996653
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name1-(4-propan-2-ylpiperazin-1-yl)-2-propylhexan-1-one
SMILESCCCCC(CCC)C(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C16H32N2O/c1-5-7-9-15(8-6-2)16(19)18-12-10-17(11-13-18)14(3)4/h14-15H,5-13H2,1-4H3
InChIKeyCTUGCZXJZLVROW-UHFFFAOYSA-N
XLogP3.15
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-morpholin-4-yl-2-propylhexan-1-one
CID 146231854
1-(4-acetylpiperazin-1-yl)-2-ethylhexan-1-one
CID 145133773
2-(aminomethyl)-1-(4-butan-2-ylpiperazin-1-yl)pentan-1-one
CID 62773291
1-[4-(2-bromoethyl)piperazin-1-yl]-2-propylpentan-1-one
CID 82987942
1-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-2-propylpentan-1-one
CID 82984066
1-(azetidin-1-yl)-2-ethylpentan-1-one
CID 146417085
2-ethoxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 86990301
2-ethyl-1-(4-hydroxypiperidin-1-yl)hexan-1-one
CID 43417122
2,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
CID 176724089
3-amino-2-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;dihydrochloride
CID 120502801
2-amino-1-[4-(2-methylpropanoyl)piperazin-1-yl]hexan-1-one
CID 54870104
2-[4-(2-propylpentanoyl)piperazin-1-yl]ethanethioamide
CID 82984936

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylpiperazin-1-yl)-2-propylhexan-1-one?
The IUPAC name of 1-(4-propan-2-ylpiperazin-1-yl)-2-propylhexan-1-one (CID 166996653) is 1-(4-propan-2-ylpiperazin-1-yl)-2-propylhexan-1-one.
What is the SMILES notation for 1-(4-propan-2-ylpiperazin-1-yl)-2-propylhexan-1-one?
The canonical SMILES for 1-(4-propan-2-ylpiperazin-1-yl)-2-propylhexan-1-one is CCCCC(CCC)C(=O)N1CCN(C(C)C)CC1.
What is the InChIKey of 1-(4-propan-2-ylpiperazin-1-yl)-2-propylhexan-1-one?
The InChIKey is CTUGCZXJZLVROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-5-7-9-15(8-6-2)16(19)18-12-10-17(11-13-18)14(3)4/h14-15H,5-13H2,1-4H3.
What are the key properties of 1-(4-propan-2-ylpiperazin-1-yl)-2-propylhexan-1-one?
1-(4-propan-2-ylpiperazin-1-yl)-2-propylhexan-1-one has a molecular weight of 268.44 g/mol, XLogP of 3.15, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylpiperazin-1-yl)-2-propylhexan-1-one is sourced from PubChem (CID 166996653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).