(3R)-3,5,5-trimethyl-1-piperazin-1-ylhexan-1-one

C13H26N2O — CID 93256892

IUPAC(3R)-3,5,5-trimethyl-1-piperazin-1-ylhexan-1-one
SMILESC[C@@H](CC(=O)N1CCNCC1)CC(C)(C)C
InChIInChI=1S/C13H26N2O/c1-11(10-13(2,3)4)9-12(16)15-7-5-14-6-8-15/h11,14H,5-10H2,1-4H3/t11-/m0/s1
InChIKeyYMNUGOCPVHQQNK-NSHDSACASA-N
MW226.36 g/mol
LogP1.88
Rot. Bonds3

About (3R)-3,5,5-trimethyl-1-piperazin-1-ylhexan-1-one

(3R)-3,5,5-trimethyl-1-piperazin-1-ylhexan-1-one (PubChem CID 93256892) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is (3R)-3,5,5-trimethyl-1-piperazin-1-ylhexan-1-one.

Molecular Properties

Compound Name(3R)-3,5,5-trimethyl-1-piperazin-1-ylhexan-1-one
PubChem CID93256892
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name(3R)-3,5,5-trimethyl-1-piperazin-1-ylhexan-1-one
SMILESC[C@@H](CC(=O)N1CCNCC1)CC(C)(C)C
InChIInChI=1S/C13H26N2O/c1-11(10-13(2,3)4)9-12(16)15-7-5-14-6-8-15/h11,14H,5-10H2,1-4H3/t11-/m0/s1
InChIKeyYMNUGOCPVHQQNK-NSHDSACASA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-(1,4-diazepan-1-yl)-3,5,5-trimethylhexan-1-one
CID 93256894
3,5,5-trimethyl-1-(3-piperazin-1-ylazetidin-1-yl)hexan-1-one
CID 66203790
4-amino-3-methyl-1-piperazin-1-ylbutan-1-one
CID 81072124
1-(3,3-dimethylpiperazin-1-yl)-3,5,5-trimethylhexan-1-one
CID 79507159
3-hydroxy-1-piperazin-1-ylbutan-1-one
CID 10583332
3-methoxy-1-piperazin-1-ylbutan-1-one
CID 82504294
1-[4-(1-aminoethyl)piperidin-1-yl]-3,5,5-trimethylhexan-1-one
CID 63595847
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3,5,5-trimethylhexan-1-one
CID 115313983
2-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]acetonitrile
CID 63337260
4-ethyl-1-(3,5,5-trimethylhexanoyl)piperidine-4-carboxylic acid
CID 63125277
4,4,4-trifluoro-1-piperazin-1-yl-3-(trifluoromethyl)butan-1-one
CID 84714810
2-amino-4-oxo-4-piperazin-1-ylbutanoic acid
CID 70945873

Frequently Asked Questions

What is the IUPAC name of (3R)-3,5,5-trimethyl-1-piperazin-1-ylhexan-1-one?
The IUPAC name of (3R)-3,5,5-trimethyl-1-piperazin-1-ylhexan-1-one (CID 93256892) is (3R)-3,5,5-trimethyl-1-piperazin-1-ylhexan-1-one.
What is the SMILES notation for (3R)-3,5,5-trimethyl-1-piperazin-1-ylhexan-1-one?
The canonical SMILES for (3R)-3,5,5-trimethyl-1-piperazin-1-ylhexan-1-one is C[C@@H](CC(=O)N1CCNCC1)CC(C)(C)C.
What is the InChIKey of (3R)-3,5,5-trimethyl-1-piperazin-1-ylhexan-1-one?
The InChIKey is YMNUGOCPVHQQNK-NSHDSACASA-N. The full InChI is InChI=1S/C13H26N2O/c1-11(10-13(2,3)4)9-12(16)15-7-5-14-6-8-15/h11,14H,5-10H2,1-4H3/t11-/m0/s1.
What are the key properties of (3R)-3,5,5-trimethyl-1-piperazin-1-ylhexan-1-one?
(3R)-3,5,5-trimethyl-1-piperazin-1-ylhexan-1-one has a molecular weight of 226.36 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,5,5-trimethyl-1-piperazin-1-ylhexan-1-one is sourced from PubChem (CID 93256892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).