1-ethyl-4-[4-(2-methylpropoxy)cyclohexyl]piperazine

C16H32N2O — CID 171508679

IUPAC1-ethyl-4-[4-(2-methylpropoxy)cyclohexyl]piperazine
SMILESCCN1CCN(C2CCC(OCC(C)C)CC2)CC1
InChIInChI=1S/C16H32N2O/c1-4-17-9-11-18(12-10-17)15-5-7-16(8-6-15)19-13-14(2)3/h14-16H,4-13H2,1-3H3
InChIKeyISDDQLKWKDJMEY-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.61
Rot. Bonds5

About 1-ethyl-4-[4-(2-methylpropoxy)cyclohexyl]piperazine

1-ethyl-4-[4-(2-methylpropoxy)cyclohexyl]piperazine (PubChem CID 171508679) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-ethyl-4-[4-(2-methylpropoxy)cyclohexyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[4-(2-methylpropoxy)cyclohexyl]piperazine
PubChem CID171508679
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name1-ethyl-4-[4-(2-methylpropoxy)cyclohexyl]piperazine
SMILESCCN1CCN(C2CCC(OCC(C)C)CC2)CC1
InChIInChI=1S/C16H32N2O/c1-4-17-9-11-18(12-10-17)15-5-7-16(8-6-15)19-13-14(2)3/h14-16H,4-13H2,1-3H3
InChIKeyISDDQLKWKDJMEY-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[4-(2-methylpropoxy)cyclohexyl]piperazine?
The IUPAC name of 1-ethyl-4-[4-(2-methylpropoxy)cyclohexyl]piperazine (CID 171508679) is 1-ethyl-4-[4-(2-methylpropoxy)cyclohexyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[4-(2-methylpropoxy)cyclohexyl]piperazine?
The canonical SMILES for 1-ethyl-4-[4-(2-methylpropoxy)cyclohexyl]piperazine is CCN1CCN(C2CCC(OCC(C)C)CC2)CC1.
What is the InChIKey of 1-ethyl-4-[4-(2-methylpropoxy)cyclohexyl]piperazine?
The InChIKey is ISDDQLKWKDJMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-4-17-9-11-18(12-10-17)15-5-7-16(8-6-15)19-13-14(2)3/h14-16H,4-13H2,1-3H3.
What are the key properties of 1-ethyl-4-[4-(2-methylpropoxy)cyclohexyl]piperazine?
1-ethyl-4-[4-(2-methylpropoxy)cyclohexyl]piperazine has a molecular weight of 268.44 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[4-(2-methylpropoxy)cyclohexyl]piperazine is sourced from PubChem (CID 171508679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).