1-(4-cycloheptylpiperazin-1-yl)-2-methylpropan-2-ol

C15H30N2O — CID 82929861

IUPAC1-(4-cycloheptylpiperazin-1-yl)-2-methylpropan-2-ol
SMILESCC(C)(O)CN1CCN(C2CCCCCC2)CC1
InChIInChI=1S/C15H30N2O/c1-15(2,18)13-16-9-11-17(12-10-16)14-7-5-3-4-6-8-14/h14,18H,3-13H2,1-2H3
InChIKeyZJOUXVMBKHSFEN-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.10
Rot. Bonds3

About 1-(4-cycloheptylpiperazin-1-yl)-2-methylpropan-2-ol

1-(4-cycloheptylpiperazin-1-yl)-2-methylpropan-2-ol (PubChem CID 82929861) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-(4-cycloheptylpiperazin-1-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(4-cycloheptylpiperazin-1-yl)-2-methylpropan-2-ol
PubChem CID82929861
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-(4-cycloheptylpiperazin-1-yl)-2-methylpropan-2-ol
SMILESCC(C)(O)CN1CCN(C2CCCCCC2)CC1
InChIInChI=1S/C15H30N2O/c1-15(2,18)13-16-9-11-17(12-10-16)14-7-5-3-4-6-8-14/h14,18H,3-13H2,1-2H3
InChIKeyZJOUXVMBKHSFEN-UHFFFAOYSA-N
XLogP2.10
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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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Related Compounds

1-[4-(4-ethylcyclohexyl)piperazin-1-yl]-2-methylpropan-2-ol
CID 64776099
3-(4-cyclopentylpiperazin-1-yl)-2,2-dimethylpropan-1-amine
CID 62369809
1-(4-cyclopentylpiperazin-1-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol
CID 66335773
1-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-2-methylpropan-2-ol
CID 99639323
3-(4-cyclopentylpiperazin-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64788217
1-cyclohexyl-4-ethylpiperazine;hydrochloride
CID 44598236
2-methyl-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]propan-2-ol
CID 111113367
1-(2-hydroxy-2-methylpropyl)piperidin-4-ol
CID 60886320
3-(4-cyclopropylpiperazin-1-yl)-2,2-dimethylpropanoic acid
CID 62269991
N-tert-butyl-2-(4-cyclopentylpiperazin-1-yl)acetamide
CID 121184695
2-[(4-cyclopentylpiperazin-1-yl)methyl]-N-ethyl-2-methylpentan-1-amine
CID 62369813
N-cyclopentyl-4-(2-hydroxy-2-methylpropyl)piperazine-1-carbothioamide
CID 116508807

Frequently Asked Questions

What is the IUPAC name of 1-(4-cycloheptylpiperazin-1-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-(4-cycloheptylpiperazin-1-yl)-2-methylpropan-2-ol (CID 82929861) is 1-(4-cycloheptylpiperazin-1-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(4-cycloheptylpiperazin-1-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(4-cycloheptylpiperazin-1-yl)-2-methylpropan-2-ol is CC(C)(O)CN1CCN(C2CCCCCC2)CC1.
What is the InChIKey of 1-(4-cycloheptylpiperazin-1-yl)-2-methylpropan-2-ol?
The InChIKey is ZJOUXVMBKHSFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-15(2,18)13-16-9-11-17(12-10-16)14-7-5-3-4-6-8-14/h14,18H,3-13H2,1-2H3.
What are the key properties of 1-(4-cycloheptylpiperazin-1-yl)-2-methylpropan-2-ol?
1-(4-cycloheptylpiperazin-1-yl)-2-methylpropan-2-ol has a molecular weight of 254.42 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cycloheptylpiperazin-1-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 82929861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).