cyclohexyl-(2,5,5-trimethylpiperazin-1-yl)methanone

C14H26N2O — CID 82243553

IUPACcyclohexyl-(2,5,5-trimethylpiperazin-1-yl)methanone
SMILESCC1CNC(C)(C)CN1C(=O)C1CCCCC1
InChIInChI=1S/C14H26N2O/c1-11-9-15-14(2,3)10-16(11)13(17)12-7-5-4-6-8-12/h11-12,15H,4-10H2,1-3H3
InChIKeyHUTZHCKEAHBFRP-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.17
Rot. Bonds1

About cyclohexyl-(2,5,5-trimethylpiperazin-1-yl)methanone

cyclohexyl-(2,5,5-trimethylpiperazin-1-yl)methanone (PubChem CID 82243553) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is cyclohexyl-(2,5,5-trimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Namecyclohexyl-(2,5,5-trimethylpiperazin-1-yl)methanone
PubChem CID82243553
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Namecyclohexyl-(2,5,5-trimethylpiperazin-1-yl)methanone
SMILESCC1CNC(C)(C)CN1C(=O)C1CCCCC1
InChIInChI=1S/C14H26N2O/c1-11-9-15-14(2,3)10-16(11)13(17)12-7-5-4-6-8-12/h11-12,15H,4-10H2,1-3H3
InChIKeyHUTZHCKEAHBFRP-UHFFFAOYSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexyl-[5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]methanone
CID 82249108
1-(2,5,5-trimethylpiperazin-1-yl)ethanone
CID 82240896
2-methyl-1-(2,5,5-trimethylpiperazin-1-yl)propan-1-one
CID 82241166
cycloheptyl-(3,3-dimethylpiperazin-1-yl)methanone
CID 79506379
cyclohexyl-[(2R,5S)-2,5-dimethylpiperidin-1-yl]methanone
CID 145040393
cyclohexyl-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 897689
cyclopropyl-(2,5-dimethylpiperazin-1-yl)methanone
CID 64980051
cyclopropyl-[3-(2-methylpiperazine-1-carbonyl)piperidin-1-yl]methanone
CID 119472927
(2-methylpiperidin-1-yl)-[(3R)-piperidin-3-yl]methanone
CID 81123466
1-(cyclobutylmethyl)-2,5,5-trimethylpiperazine
CID 64934999
1-(cyclohexanecarbonyl)azocane-2-carboxylic acid
CID 114239738
(2S)-1-(cyclohexanecarbonyl)piperidine-2-carboxylic acid
CID 42083438

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(2,5,5-trimethylpiperazin-1-yl)methanone?
The IUPAC name of cyclohexyl-(2,5,5-trimethylpiperazin-1-yl)methanone (CID 82243553) is cyclohexyl-(2,5,5-trimethylpiperazin-1-yl)methanone.
What is the SMILES notation for cyclohexyl-(2,5,5-trimethylpiperazin-1-yl)methanone?
The canonical SMILES for cyclohexyl-(2,5,5-trimethylpiperazin-1-yl)methanone is CC1CNC(C)(C)CN1C(=O)C1CCCCC1.
What is the InChIKey of cyclohexyl-(2,5,5-trimethylpiperazin-1-yl)methanone?
The InChIKey is HUTZHCKEAHBFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-11-9-15-14(2,3)10-16(11)13(17)12-7-5-4-6-8-12/h11-12,15H,4-10H2,1-3H3.
What are the key properties of cyclohexyl-(2,5,5-trimethylpiperazin-1-yl)methanone?
cyclohexyl-(2,5,5-trimethylpiperazin-1-yl)methanone has a molecular weight of 238.37 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(2,5,5-trimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 82243553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).