1-(3,4-dimethylcyclohexyl)-2-(1,4-dimethylpiperazin-2-yl)ethanol

C16H32N2O — CID 115414907

IUPAC1-(3,4-dimethylcyclohexyl)-2-(1,4-dimethylpiperazin-2-yl)ethanol
SMILESCC1CCC(C(O)CC2CN(C)CCN2C)CC1C
InChIInChI=1S/C16H32N2O/c1-12-5-6-14(9-13(12)2)16(19)10-15-11-17(3)7-8-18(15)4/h12-16,19H,5-11H2,1-4H3
InChIKeyAHZLCZQJRFBDJY-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.06
Rot. Bonds3

About 1-(3,4-dimethylcyclohexyl)-2-(1,4-dimethylpiperazin-2-yl)ethanol

1-(3,4-dimethylcyclohexyl)-2-(1,4-dimethylpiperazin-2-yl)ethanol (PubChem CID 115414907) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-2-(1,4-dimethylpiperazin-2-yl)ethanol.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-2-(1,4-dimethylpiperazin-2-yl)ethanol
PubChem CID115414907
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name1-(3,4-dimethylcyclohexyl)-2-(1,4-dimethylpiperazin-2-yl)ethanol
SMILESCC1CCC(C(O)CC2CN(C)CCN2C)CC1C
InChIInChI=1S/C16H32N2O/c1-12-5-6-14(9-13(12)2)16(19)10-15-11-17(3)7-8-18(15)4/h12-16,19H,5-11H2,1-4H3
InChIKeyAHZLCZQJRFBDJY-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-2-(1,4-dimethylpiperazin-2-yl)ethanol
CID 115414967
2-(1,4-dimethylpiperazin-2-yl)-1-(oxan-4-yl)ethanol
CID 115414793
1-(1,4-dimethylpiperazin-2-yl)-3-ethylpentan-2-ol
CID 115414788
1-(3,5-dimethylcyclohexyl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine
CID 115415017
1-cyclopentyl-2-(1,4-dimethylpiperazin-2-yl)ethanamine
CID 115415158
1-(1,4-dimethylpiperazin-2-yl)propan-2-amine
CID 115415048
(3,4-dimethylcyclohexyl)-(4-methylmorpholin-2-yl)methanol
CID 79087480
[1-cyclopentyl-3-(1,4-dimethylpiperazin-2-yl)propan-2-yl]hydrazine
CID 105260117
2-(1,4-dimethylpiperazin-2-yl)-1-thiophen-3-ylethanol
CID 115414917
1-(1,4-dimethylpiperazin-2-yl)hept-5-yn-2-ol
CID 104804190
1-(1,4-dimethylpiperazin-2-yl)-4-ethylhexan-2-amine
CID 82923377
1-(1,4-dimethylpiperazin-2-yl)-3-(4-iodophenyl)propan-2-ol
CID 115414970

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-2-(1,4-dimethylpiperazin-2-yl)ethanol?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-2-(1,4-dimethylpiperazin-2-yl)ethanol (CID 115414907) is 1-(3,4-dimethylcyclohexyl)-2-(1,4-dimethylpiperazin-2-yl)ethanol.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-2-(1,4-dimethylpiperazin-2-yl)ethanol?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-2-(1,4-dimethylpiperazin-2-yl)ethanol is CC1CCC(C(O)CC2CN(C)CCN2C)CC1C.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-2-(1,4-dimethylpiperazin-2-yl)ethanol?
The InChIKey is AHZLCZQJRFBDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-12-5-6-14(9-13(12)2)16(19)10-15-11-17(3)7-8-18(15)4/h12-16,19H,5-11H2,1-4H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)-2-(1,4-dimethylpiperazin-2-yl)ethanol?
1-(3,4-dimethylcyclohexyl)-2-(1,4-dimethylpiperazin-2-yl)ethanol has a molecular weight of 268.44 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)-2-(1,4-dimethylpiperazin-2-yl)ethanol is sourced from PubChem (CID 115414907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).