5-butan-2-yl-1-(2,3-dimethylcyclohexyl)-2-propan-2-ylpiperazine

C19H38N2 — CID 64953097

IUPAC5-butan-2-yl-1-(2,3-dimethylcyclohexyl)-2-propan-2-ylpiperazine
SMILESCCC(C)C1CN(C2CCCC(C)C2C)C(C(C)C)CN1
InChIInChI=1S/C19H38N2/c1-7-14(4)17-12-21(19(11-20-17)13(2)3)18-10-8-9-15(5)16(18)6/h13-20H,7-12H2,1-6H3
InChIKeyVHNMOSADZKIHGR-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.16
Rot. Bonds4

About 5-butan-2-yl-1-(2,3-dimethylcyclohexyl)-2-propan-2-ylpiperazine

5-butan-2-yl-1-(2,3-dimethylcyclohexyl)-2-propan-2-ylpiperazine (PubChem CID 64953097) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 5-butan-2-yl-1-(2,3-dimethylcyclohexyl)-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-butan-2-yl-1-(2,3-dimethylcyclohexyl)-2-propan-2-ylpiperazine
PubChem CID64953097
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name5-butan-2-yl-1-(2,3-dimethylcyclohexyl)-2-propan-2-ylpiperazine
SMILESCCC(C)C1CN(C2CCCC(C)C2C)C(C(C)C)CN1
InChIInChI=1S/C19H38N2/c1-7-14(4)17-12-21(19(11-20-17)13(2)3)18-10-8-9-15(5)16(18)6/h13-20H,7-12H2,1-6H3
InChIKeyVHNMOSADZKIHGR-UHFFFAOYSA-N
XLogP4.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-butan-2-yl-1-(1-methylpiperidin-3-yl)-2-propan-2-ylpiperazine
CID 64936576
1-(2,3-dimethylcyclohexyl)-5,5-diethyl-2-propan-2-ylpiperazine
CID 64931871
5-butan-2-yl-1-cyclobutyl-2-methylpiperazine
CID 64938367
1-(2-methylcyclopentyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 64941388
1-(2,3-dimethylcyclohexyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 64932045
1-(2,3-dimethylcyclopentyl)-2-ethyl-5-propan-2-ylpiperazine
CID 64937652
3-butan-2-yl-1-(2-methylcyclopentyl)piperazine
CID 64952202
2-ethyl-1-(2-methylcyclopentyl)-5-propan-2-ylpiperazine
CID 64938386
5-butan-2-yl-1-cyclopropyl-2-methylpiperazine
CID 64954275
5-butan-2-yl-1-(1-cyclopropylethyl)-2-propan-2-ylpiperazine
CID 64939021
1-(5-butan-2-yl-2-methylpiperazin-1-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 64937377
5-butan-2-yl-1-[(4-methylcyclohexyl)methyl]-2-propan-2-ylpiperazine
CID 64937815

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-1-(2,3-dimethylcyclohexyl)-2-propan-2-ylpiperazine?
The IUPAC name of 5-butan-2-yl-1-(2,3-dimethylcyclohexyl)-2-propan-2-ylpiperazine (CID 64953097) is 5-butan-2-yl-1-(2,3-dimethylcyclohexyl)-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-butan-2-yl-1-(2,3-dimethylcyclohexyl)-2-propan-2-ylpiperazine?
The canonical SMILES for 5-butan-2-yl-1-(2,3-dimethylcyclohexyl)-2-propan-2-ylpiperazine is CCC(C)C1CN(C2CCCC(C)C2C)C(C(C)C)CN1.
What is the InChIKey of 5-butan-2-yl-1-(2,3-dimethylcyclohexyl)-2-propan-2-ylpiperazine?
The InChIKey is VHNMOSADZKIHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-7-14(4)17-12-21(19(11-20-17)13(2)3)18-10-8-9-15(5)16(18)6/h13-20H,7-12H2,1-6H3.
What are the key properties of 5-butan-2-yl-1-(2,3-dimethylcyclohexyl)-2-propan-2-ylpiperazine?
5-butan-2-yl-1-(2,3-dimethylcyclohexyl)-2-propan-2-ylpiperazine has a molecular weight of 294.53 g/mol, XLogP of 4.16, 4 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-(2,3-dimethylcyclohexyl)-2-propan-2-ylpiperazine is sourced from PubChem (CID 64953097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).