[1-[(4-tert-butylpiperazin-1-yl)methyl]cyclohexyl]methanol

C16H32N2O — CID 62264791

IUPAC[1-[(4-tert-butylpiperazin-1-yl)methyl]cyclohexyl]methanol
SMILESCC(C)(C)N1CCN(CC2(CO)CCCCC2)CC1
InChIInChI=1S/C16H32N2O/c1-15(2,3)18-11-9-17(10-12-18)13-16(14-19)7-5-4-6-8-16/h19H,4-14H2,1-3H3
InChIKeyUJRNLRIRFXAAQW-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.35
Rot. Bonds3

About [1-[(4-tert-butylpiperazin-1-yl)methyl]cyclohexyl]methanol

[1-[(4-tert-butylpiperazin-1-yl)methyl]cyclohexyl]methanol (PubChem CID 62264791) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is [1-[(4-tert-butylpiperazin-1-yl)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(4-tert-butylpiperazin-1-yl)methyl]cyclohexyl]methanol
PubChem CID62264791
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name[1-[(4-tert-butylpiperazin-1-yl)methyl]cyclohexyl]methanol
SMILESCC(C)(C)N1CCN(CC2(CO)CCCCC2)CC1
InChIInChI=1S/C16H32N2O/c1-15(2,3)18-11-9-17(10-12-18)13-16(14-19)7-5-4-6-8-16/h19H,4-14H2,1-3H3
InChIKeyUJRNLRIRFXAAQW-UHFFFAOYSA-N
XLogP2.35
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-tert-butylpiperazin-1-yl)methyl]cyclohexyl]methanol?
The IUPAC name of [1-[(4-tert-butylpiperazin-1-yl)methyl]cyclohexyl]methanol (CID 62264791) is [1-[(4-tert-butylpiperazin-1-yl)methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[(4-tert-butylpiperazin-1-yl)methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[(4-tert-butylpiperazin-1-yl)methyl]cyclohexyl]methanol is CC(C)(C)N1CCN(CC2(CO)CCCCC2)CC1.
What is the InChIKey of [1-[(4-tert-butylpiperazin-1-yl)methyl]cyclohexyl]methanol?
The InChIKey is UJRNLRIRFXAAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-15(2,3)18-11-9-17(10-12-18)13-16(14-19)7-5-4-6-8-16/h19H,4-14H2,1-3H3.
What are the key properties of [1-[(4-tert-butylpiperazin-1-yl)methyl]cyclohexyl]methanol?
[1-[(4-tert-butylpiperazin-1-yl)methyl]cyclohexyl]methanol has a molecular weight of 268.44 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-tert-butylpiperazin-1-yl)methyl]cyclohexyl]methanol is sourced from PubChem (CID 62264791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).