(2R)-1-[(4-ethylcyclohexyl)methyl]-2-(methoxymethyl)-4-methylpiperazine

C16H32N2O — CID 170952956

IUPAC(2R)-1-[(4-ethylcyclohexyl)methyl]-2-(methoxymethyl)-4-methylpiperazine
SMILESCCC1CCC(CN2CCN(C)C[C@@H]2COC)CC1
InChIInChI=1S/C16H32N2O/c1-4-14-5-7-15(8-6-14)11-18-10-9-17(2)12-16(18)13-19-3/h14-16H,4-13H2,1-3H3/t14?,15?,16-/m1/s1
InChIKeyWXQTUOLJDYYGEF-UYSNPLJNSA-N
MW268.44 g/mol
LogP2.47
Rot. Bonds5

About (2R)-1-[(4-ethylcyclohexyl)methyl]-2-(methoxymethyl)-4-methylpiperazine

(2R)-1-[(4-ethylcyclohexyl)methyl]-2-(methoxymethyl)-4-methylpiperazine (PubChem CID 170952956) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is (2R)-1-[(4-ethylcyclohexyl)methyl]-2-(methoxymethyl)-4-methylpiperazine.

Molecular Properties

Compound Name(2R)-1-[(4-ethylcyclohexyl)methyl]-2-(methoxymethyl)-4-methylpiperazine
PubChem CID170952956
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name(2R)-1-[(4-ethylcyclohexyl)methyl]-2-(methoxymethyl)-4-methylpiperazine
SMILESCCC1CCC(CN2CCN(C)C[C@@H]2COC)CC1
InChIInChI=1S/C16H32N2O/c1-4-14-5-7-15(8-6-14)11-18-10-9-17(2)12-16(18)13-19-3/h14-16H,4-13H2,1-3H3/t14?,15?,16-/m1/s1
InChIKeyWXQTUOLJDYYGEF-UYSNPLJNSA-N
XLogP2.47
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[4-[2-(3,5-Dimethylcyclohexyl)ethyl]piperazin-1-yl]ethyl]-1,4-oxazepane
CID 137882860
1-(3-Fluoro-4-propan-2-ylcyclohexyl)-4-(oxetan-3-yl)piperazine
CID 140709103
(2R)-2-(difluoromethoxymethyl)-4-propan-2-yl-1-[(4-propan-2-ylcyclohexyl)methyl]piperazine
CID 171598564
4-[5-(4-Methylcyclohexyl)pentyl]morpholine
CID 59545504
(3S)-3-methyl-4-[(4-propan-2-ylcyclohexyl)methyl]morpholine
CID 89671368
(3R)-3-methyl-4-[2-(4-methylcyclohexyl)ethyl]morpholine
CID 90324273
4-(3-Hexyldecan-2-yl)morpholine
CID 132228292
N-[3-[1,6-bis(2-methylpropyl)piperidin-3-yl]-2-methylpropyl]-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 137510876
3-[1,6-bis(2-methylpropyl)piperidin-3-yl]-N-(2-methoxyethyl)-2-methyl-N-propylpropan-1-amine
CID 137511323
2-(Methoxymethyl)-1-methyl-4-(3-methylnonan-3-yl)piperazine
CID 139319931
(2R)-2-methyl-1-(oxetan-3-yl)-4-(4-propan-2-ylcyclohexyl)piperazine
CID 140709121
1-(3-Methyloxetan-3-yl)-4-(4-propan-2-ylcyclohexyl)piperazine
CID 140709124

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(4-ethylcyclohexyl)methyl]-2-(methoxymethyl)-4-methylpiperazine?
The IUPAC name of (2R)-1-[(4-ethylcyclohexyl)methyl]-2-(methoxymethyl)-4-methylpiperazine (CID 170952956) is (2R)-1-[(4-ethylcyclohexyl)methyl]-2-(methoxymethyl)-4-methylpiperazine.
What is the SMILES notation for (2R)-1-[(4-ethylcyclohexyl)methyl]-2-(methoxymethyl)-4-methylpiperazine?
The canonical SMILES for (2R)-1-[(4-ethylcyclohexyl)methyl]-2-(methoxymethyl)-4-methylpiperazine is CCC1CCC(CN2CCN(C)C[C@@H]2COC)CC1.
What is the InChIKey of (2R)-1-[(4-ethylcyclohexyl)methyl]-2-(methoxymethyl)-4-methylpiperazine?
The InChIKey is WXQTUOLJDYYGEF-UYSNPLJNSA-N. The full InChI is InChI=1S/C16H32N2O/c1-4-14-5-7-15(8-6-14)11-18-10-9-17(2)12-16(18)13-19-3/h14-16H,4-13H2,1-3H3/t14?,15?,16-/m1/s1.
What are the key properties of (2R)-1-[(4-ethylcyclohexyl)methyl]-2-(methoxymethyl)-4-methylpiperazine?
(2R)-1-[(4-ethylcyclohexyl)methyl]-2-(methoxymethyl)-4-methylpiperazine has a molecular weight of 268.44 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(4-ethylcyclohexyl)methyl]-2-(methoxymethyl)-4-methylpiperazine is sourced from PubChem (CID 170952956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).