3-cyclohexyl-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol

C17H34N2O — CID 10214772

IUPAC3-cyclohexyl-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol
SMILESCCC(O)(C(C)CN1CCN(C)CC1)C1CCCCC1
InChIInChI=1S/C17H34N2O/c1-4-17(20,16-8-6-5-7-9-16)15(2)14-19-12-10-18(3)11-13-19/h15-16,20H,4-14H2,1-3H3
InChIKeyNECMYVKJZJNUIS-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.59
Rot. Bonds5

About 3-cyclohexyl-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol

3-cyclohexyl-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol (PubChem CID 10214772) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 3-cyclohexyl-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol.

Molecular Properties

Compound Name3-cyclohexyl-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol
PubChem CID10214772
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name3-cyclohexyl-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol
SMILESCCC(O)(C(C)CN1CCN(C)CC1)C1CCCCC1
InChIInChI=1S/C17H34N2O/c1-4-17(20,16-8-6-5-7-9-16)15(2)14-19-12-10-18(3)11-13-19/h15-16,20H,4-14H2,1-3H3
InChIKeyNECMYVKJZJNUIS-UHFFFAOYSA-N
XLogP2.59
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

Piperidinol, 1-butyl-4-cyclohexyl-, hydrochloride
CID 115389
4-Cyclohexyl-1-methylpiperid-4-ol
CID 115390
Dicyclidol
CID 133970
1,1-Dicyclohexyl-3-piperidin-1-ylpropan-1-ol
CID 10267232
3-Cyclohexyl-2-methyl-1-piperidin-1-ylpentan-3-ol
CID 10125346
1-Cyclopentyl-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-ol
CID 10149392
1-Cyclopentyl-2-[(4-methylpiperazin-1-yl)methyl]cyclooctan-1-ol
CID 10171846
1-Cyclopentyl-2-[(4-methylpiperazin-1-yl)methyl]cycloheptan-1-ol
CID 10236440
1-Cyclohexyl-2-(piperidin-1-ylmethyl)cyclododecan-1-ol
CID 10237150
1-Cyclohexyl-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-ol
CID 10286251
3-Cyclopentyl-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol
CID 10308174
1-Cyclopentyl-2-(piperidin-1-ylmethyl)cyclododecan-1-ol
CID 10308929

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol?
The IUPAC name of 3-cyclohexyl-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol (CID 10214772) is 3-cyclohexyl-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol.
What is the SMILES notation for 3-cyclohexyl-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol?
The canonical SMILES for 3-cyclohexyl-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol is CCC(O)(C(C)CN1CCN(C)CC1)C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol?
The InChIKey is NECMYVKJZJNUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-4-17(20,16-8-6-5-7-9-16)15(2)14-19-12-10-18(3)11-13-19/h15-16,20H,4-14H2,1-3H3.
What are the key properties of 3-cyclohexyl-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol?
3-cyclohexyl-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol has a molecular weight of 282.47 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol is sourced from PubChem (CID 10214772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).