1-[2-(3,4-dimethylcyclohexyl)oxyethyl]piperazine

C14H28N2O — CID 64744385

IUPAC1-[2-(3,4-dimethylcyclohexyl)oxyethyl]piperazine
SMILESCC1CCC(OCCN2CCNCC2)CC1C
InChIInChI=1S/C14H28N2O/c1-12-3-4-14(11-13(12)2)17-10-9-16-7-5-15-6-8-16/h12-15H,3-11H2,1-2H3
InChIKeyMBHKQDCXFFKNHP-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.73
Rot. Bonds4

About 1-[2-(3,4-dimethylcyclohexyl)oxyethyl]piperazine

1-[2-(3,4-dimethylcyclohexyl)oxyethyl]piperazine (PubChem CID 64744385) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-[2-(3,4-dimethylcyclohexyl)oxyethyl]piperazine.

Molecular Properties

Compound Name1-[2-(3,4-dimethylcyclohexyl)oxyethyl]piperazine
PubChem CID64744385
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-[2-(3,4-dimethylcyclohexyl)oxyethyl]piperazine
SMILESCC1CCC(OCCN2CCNCC2)CC1C
InChIInChI=1S/C14H28N2O/c1-12-3-4-14(11-13(12)2)17-10-9-16-7-5-15-6-8-16/h12-15H,3-11H2,1-2H3
InChIKeyMBHKQDCXFFKNHP-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-ethyl-4-[2-(1-propylpiperidin-4-yl)oxyethyl]piperazine;1-[2-(1-propylpiperidin-4-yl)oxyethyl]piperazine
CID 156885090
4,4-dimethyl-1-(2-piperidin-4-yloxyethyl)piperidine
CID 63903619
5-(4-methylcyclohexyl)-N-[4-(2-piperazin-1-ylethoxy)cyclohexyl]-1,3-diazinan-2-amine;molecular hydrogen
CID 143432935
1-(2-cyclohexyloxyethyl)-1,5-diazocane
CID 63826545
1-methylsulfonyl-4-(2-piperidin-4-yloxyethyl)piperazine
CID 55251864
1-[3-(1-methylazetidin-3-yl)oxypropyl]piperazine
CID 146420488
1-(2-piperidin-4-yloxyethyl)-4-propylpiperidine
CID 63902666
1-[(4-propoxycyclohexyl)methyl]piperazine
CID 170953587
N-(3,4-dimethylcyclohexyl)-2-piperazin-1-ylethanesulfonamide
CID 64743714
(2S,6R)-2,6-dimethyl-4-(2-piperidin-4-yloxyethyl)morpholine
CID 97102416
ethane;1-[2-(4-methylpiperidin-1-yl)ethyl]piperazine
CID 153398628
1-(2-cyclopentyloxyethyl)-4-methyl-1,5-diazocane
CID 63826366

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethylcyclohexyl)oxyethyl]piperazine?
The IUPAC name of 1-[2-(3,4-dimethylcyclohexyl)oxyethyl]piperazine (CID 64744385) is 1-[2-(3,4-dimethylcyclohexyl)oxyethyl]piperazine.
What is the SMILES notation for 1-[2-(3,4-dimethylcyclohexyl)oxyethyl]piperazine?
The canonical SMILES for 1-[2-(3,4-dimethylcyclohexyl)oxyethyl]piperazine is CC1CCC(OCCN2CCNCC2)CC1C.
What is the InChIKey of 1-[2-(3,4-dimethylcyclohexyl)oxyethyl]piperazine?
The InChIKey is MBHKQDCXFFKNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-12-3-4-14(11-13(12)2)17-10-9-16-7-5-15-6-8-16/h12-15H,3-11H2,1-2H3.
What are the key properties of 1-[2-(3,4-dimethylcyclohexyl)oxyethyl]piperazine?
1-[2-(3,4-dimethylcyclohexyl)oxyethyl]piperazine has a molecular weight of 240.39 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethylcyclohexyl)oxyethyl]piperazine is sourced from PubChem (CID 64744385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).