(2S)-1-[(4-ethoxycyclohexyl)methyl]-2-methylpiperazine

C14H28N2O — CID 165137900

IUPAC(2S)-1-[(4-ethoxycyclohexyl)methyl]-2-methylpiperazine
SMILESCCOC1CCC(CN2CCNC[C@@H]2C)CC1
InChIInChI=1S/C14H28N2O/c1-3-17-14-6-4-13(5-7-14)11-16-9-8-15-10-12(16)2/h12-15H,3-11H2,1-2H3/t12-,13?,14?/m0/s1
InChIKeyNAZBNZUDSKDDFK-HSBZDZAISA-N
MW240.39 g/mol
LogP1.88
Rot. Bonds4

About (2S)-1-[(4-ethoxycyclohexyl)methyl]-2-methylpiperazine

(2S)-1-[(4-ethoxycyclohexyl)methyl]-2-methylpiperazine (PubChem CID 165137900) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is (2S)-1-[(4-ethoxycyclohexyl)methyl]-2-methylpiperazine.

Molecular Properties

Compound Name(2S)-1-[(4-ethoxycyclohexyl)methyl]-2-methylpiperazine
PubChem CID165137900
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name(2S)-1-[(4-ethoxycyclohexyl)methyl]-2-methylpiperazine
SMILESCCOC1CCC(CN2CCNC[C@@H]2C)CC1
InChIInChI=1S/C14H28N2O/c1-3-17-14-6-4-13(5-7-14)11-16-9-8-15-10-12(16)2/h12-15H,3-11H2,1-2H3/t12-,13?,14?/m0/s1
InChIKeyNAZBNZUDSKDDFK-HSBZDZAISA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(4-ethoxycyclohexyl)methyl]-2-methylpiperazine?
The IUPAC name of (2S)-1-[(4-ethoxycyclohexyl)methyl]-2-methylpiperazine (CID 165137900) is (2S)-1-[(4-ethoxycyclohexyl)methyl]-2-methylpiperazine.
What is the SMILES notation for (2S)-1-[(4-ethoxycyclohexyl)methyl]-2-methylpiperazine?
The canonical SMILES for (2S)-1-[(4-ethoxycyclohexyl)methyl]-2-methylpiperazine is CCOC1CCC(CN2CCNC[C@@H]2C)CC1.
What is the InChIKey of (2S)-1-[(4-ethoxycyclohexyl)methyl]-2-methylpiperazine?
The InChIKey is NAZBNZUDSKDDFK-HSBZDZAISA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-17-14-6-4-13(5-7-14)11-16-9-8-15-10-12(16)2/h12-15H,3-11H2,1-2H3/t12-,13?,14?/m0/s1.
What are the key properties of (2S)-1-[(4-ethoxycyclohexyl)methyl]-2-methylpiperazine?
(2S)-1-[(4-ethoxycyclohexyl)methyl]-2-methylpiperazine has a molecular weight of 240.39 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(4-ethoxycyclohexyl)methyl]-2-methylpiperazine is sourced from PubChem (CID 165137900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).