2-(4-tert-butylpiperazin-1-yl)-4-propan-2-ylcyclohexan-1-ol

C17H34N2O — CID 62704133

IUPAC2-(4-tert-butylpiperazin-1-yl)-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(N2CCN(C(C)(C)C)CC2)C1
InChIInChI=1S/C17H34N2O/c1-13(2)14-6-7-16(20)15(12-14)18-8-10-19(11-9-18)17(3,4)5/h13-16,20H,6-12H2,1-5H3
InChIKeyKQEJZPVIYJKFFO-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.59
Rot. Bonds2

About 2-(4-tert-butylpiperazin-1-yl)-4-propan-2-ylcyclohexan-1-ol

2-(4-tert-butylpiperazin-1-yl)-4-propan-2-ylcyclohexan-1-ol (PubChem CID 62704133) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 2-(4-tert-butylpiperazin-1-yl)-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(4-tert-butylpiperazin-1-yl)-4-propan-2-ylcyclohexan-1-ol
PubChem CID62704133
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name2-(4-tert-butylpiperazin-1-yl)-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(N2CCN(C(C)(C)C)CC2)C1
InChIInChI=1S/C17H34N2O/c1-13(2)14-6-7-16(20)15(12-14)18-8-10-19(11-9-18)17(3,4)5/h13-16,20H,6-12H2,1-5H3
InChIKeyKQEJZPVIYJKFFO-UHFFFAOYSA-N
XLogP2.59
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyclopentylpiperazin-1-yl)-4-propan-2-ylcyclohexan-1-ol
CID 62708468
2-(4,4-dimethylpiperidin-1-yl)-4-propan-2-ylcyclohexan-1-ol
CID 62931964
2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylcyclohexan-1-ol
CID 62707731
2-(4,4-dimethylazepan-1-yl)-4-propan-2-ylcyclohexan-1-ol
CID 65281648
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-propan-2-ylcyclohexan-1-ol
CID 79934726
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-4-propan-2-ylcyclohexan-1-ol
CID 79174564
2-tert-butyl-5-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 174199616
2-(5,6-dimethylbenzimidazol-1-yl)-4-propan-2-ylcyclohexan-1-ol
CID 62709033
2-(3,3-dimethylbutyl)-4-propan-2-ylcyclohexan-1-ol
CID 63459622
2-tert-butyl-7-propan-2-yl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine
CID 166996503
2-(3-hydroxy-3-methylbutyl)-4-propan-2-ylcyclohexan-1-ol
CID 79422840
cis-(1S,5R)-2-methyl-5-propan-2-ylcyclohexan-1-ol
CID 168820123

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylpiperazin-1-yl)-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 2-(4-tert-butylpiperazin-1-yl)-4-propan-2-ylcyclohexan-1-ol (CID 62704133) is 2-(4-tert-butylpiperazin-1-yl)-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 2-(4-tert-butylpiperazin-1-yl)-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 2-(4-tert-butylpiperazin-1-yl)-4-propan-2-ylcyclohexan-1-ol is CC(C)C1CCC(O)C(N2CCN(C(C)(C)C)CC2)C1.
What is the InChIKey of 2-(4-tert-butylpiperazin-1-yl)-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is KQEJZPVIYJKFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-13(2)14-6-7-16(20)15(12-14)18-8-10-19(11-9-18)17(3,4)5/h13-16,20H,6-12H2,1-5H3.
What are the key properties of 2-(4-tert-butylpiperazin-1-yl)-4-propan-2-ylcyclohexan-1-ol?
2-(4-tert-butylpiperazin-1-yl)-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 282.47 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpiperazin-1-yl)-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 62704133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).