1-[(4-butan-2-ylpiperazin-1-yl)methyl]cyclohexan-1-ol

C15H30N2O — CID 65208031

IUPAC1-[(4-butan-2-ylpiperazin-1-yl)methyl]cyclohexan-1-ol
SMILESCCC(C)N1CCN(CC2(O)CCCCC2)CC1
InChIInChI=1S/C15H30N2O/c1-3-14(2)17-11-9-16(10-12-17)13-15(18)7-5-4-6-8-15/h14,18H,3-13H2,1-2H3
InChIKeyOPGBKFJDMLKFKI-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.10
Rot. Bonds4

About 1-[(4-butan-2-ylpiperazin-1-yl)methyl]cyclohexan-1-ol

1-[(4-butan-2-ylpiperazin-1-yl)methyl]cyclohexan-1-ol (PubChem CID 65208031) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-[(4-butan-2-ylpiperazin-1-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(4-butan-2-ylpiperazin-1-yl)methyl]cyclohexan-1-ol
PubChem CID65208031
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-[(4-butan-2-ylpiperazin-1-yl)methyl]cyclohexan-1-ol
SMILESCCC(C)N1CCN(CC2(O)CCCCC2)CC1
InChIInChI=1S/C15H30N2O/c1-3-14(2)17-11-9-16(10-12-17)13-15(18)7-5-4-6-8-15/h14,18H,3-13H2,1-2H3
InChIKeyOPGBKFJDMLKFKI-UHFFFAOYSA-N
XLogP2.10
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-butan-2-ylpiperazin-1-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(4-butan-2-ylpiperazin-1-yl)methyl]cyclohexan-1-ol (CID 65208031) is 1-[(4-butan-2-ylpiperazin-1-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(4-butan-2-ylpiperazin-1-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(4-butan-2-ylpiperazin-1-yl)methyl]cyclohexan-1-ol is CCC(C)N1CCN(CC2(O)CCCCC2)CC1.
What is the InChIKey of 1-[(4-butan-2-ylpiperazin-1-yl)methyl]cyclohexan-1-ol?
The InChIKey is OPGBKFJDMLKFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-3-14(2)17-11-9-16(10-12-17)13-15(18)7-5-4-6-8-15/h14,18H,3-13H2,1-2H3.
What are the key properties of 1-[(4-butan-2-ylpiperazin-1-yl)methyl]cyclohexan-1-ol?
1-[(4-butan-2-ylpiperazin-1-yl)methyl]cyclohexan-1-ol has a molecular weight of 254.42 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-butan-2-ylpiperazin-1-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 65208031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).