5-butan-2-yl-1-cyclohexyl-2,2-dimethylpiperazine

C16H32N2 — CID 82936355

IUPAC5-butan-2-yl-1-cyclohexyl-2,2-dimethylpiperazine
SMILESCCC(C)C1CN(C2CCCCC2)C(C)(C)CN1
InChIInChI=1S/C16H32N2/c1-5-13(2)15-11-18(16(3,4)12-17-15)14-9-7-6-8-10-14/h13-15,17H,5-12H2,1-4H3
InChIKeyYSAKCAFVQAXIKH-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.42
Rot. Bonds3

About 5-butan-2-yl-1-cyclohexyl-2,2-dimethylpiperazine

5-butan-2-yl-1-cyclohexyl-2,2-dimethylpiperazine (PubChem CID 82936355) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 5-butan-2-yl-1-cyclohexyl-2,2-dimethylpiperazine.

Molecular Properties

Compound Name5-butan-2-yl-1-cyclohexyl-2,2-dimethylpiperazine
PubChem CID82936355
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name5-butan-2-yl-1-cyclohexyl-2,2-dimethylpiperazine
SMILESCCC(C)C1CN(C2CCCCC2)C(C)(C)CN1
InChIInChI=1S/C16H32N2/c1-5-13(2)15-11-18(16(3,4)12-17-15)14-9-7-6-8-10-14/h13-15,17H,5-12H2,1-4H3
InChIKeyYSAKCAFVQAXIKH-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-butan-2-yl-1,2,2-trimethylpiperazine
CID 64847098
1-cyclohexyl-2,2-dimethyl-5-(2-methylpropyl)piperazine
CID 82936775
5-butan-2-yl-1-(2,2-difluoroethyl)-2,2-dimethylpiperazine
CID 64849409
5-butan-2-yl-1-(2-fluoroethyl)-2,2-dimethylpiperazine
CID 80696297
5-butan-2-yl-1-cyclohexyl-2-ethylpiperazine
CID 64954483
5-butan-2-yl-2-cyclopropyl-1-ethyl-2-methylpiperazine
CID 64849041
5-butan-2-yl-2,2-diethyl-1-(oxolan-3-yl)piperazine
CID 64848456
5-butan-2-yl-1-(2-ethoxyethyl)-2,2-dimethylpiperazine
CID 64848829
5-butan-2-yl-1-(2-ethylsulfonylethyl)-2,2-dimethylpiperazine
CID 106733099
5-butan-2-yl-2,2-dimethyl-1-(2-propan-2-yloxyethyl)piperazine
CID 64849215
5-butan-2-yl-1-cyclopentyl-2-ethylpiperazine
CID 64954283
5-butan-2-yl-1-(cyclobutylmethyl)-2-ethyl-2-methylpiperazine
CID 65462478

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-1-cyclohexyl-2,2-dimethylpiperazine?
The IUPAC name of 5-butan-2-yl-1-cyclohexyl-2,2-dimethylpiperazine (CID 82936355) is 5-butan-2-yl-1-cyclohexyl-2,2-dimethylpiperazine.
What is the SMILES notation for 5-butan-2-yl-1-cyclohexyl-2,2-dimethylpiperazine?
The canonical SMILES for 5-butan-2-yl-1-cyclohexyl-2,2-dimethylpiperazine is CCC(C)C1CN(C2CCCCC2)C(C)(C)CN1.
What is the InChIKey of 5-butan-2-yl-1-cyclohexyl-2,2-dimethylpiperazine?
The InChIKey is YSAKCAFVQAXIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-5-13(2)15-11-18(16(3,4)12-17-15)14-9-7-6-8-10-14/h13-15,17H,5-12H2,1-4H3.
What are the key properties of 5-butan-2-yl-1-cyclohexyl-2,2-dimethylpiperazine?
5-butan-2-yl-1-cyclohexyl-2,2-dimethylpiperazine has a molecular weight of 252.45 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-1-cyclohexyl-2,2-dimethylpiperazine is sourced from PubChem (CID 82936355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).