1-[(4-ethylphenyl)methyl]-4-(2-methylcyclohexyl)piperazine

C20H32N2 — CID 5138395

IUPAC1-[(4-ethylphenyl)methyl]-4-(2-methylcyclohexyl)piperazine
SMILESCCc1ccc(CN2CCN(C3CCCCC3C)CC2)cc1
InChIInChI=1S/C20H32N2/c1-3-18-8-10-19(11-9-18)16-21-12-14-22(15-13-21)20-7-5-4-6-17(20)2/h8-11,17,20H,3-7,12-16H2,1-2H3
InChIKeyIOSGVSNXYJVSHE-UHFFFAOYSA-N
MW300.49 g/mol
LogP3.95
Rot. Bonds4

About 1-[(4-ethylphenyl)methyl]-4-(2-methylcyclohexyl)piperazine

1-[(4-ethylphenyl)methyl]-4-(2-methylcyclohexyl)piperazine (PubChem CID 5138395) has the molecular formula C20H32N2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 1-[(4-ethylphenyl)methyl]-4-(2-methylcyclohexyl)piperazine.

Molecular Properties

Compound Name1-[(4-ethylphenyl)methyl]-4-(2-methylcyclohexyl)piperazine
PubChem CID5138395
Molecular FormulaC20H32N2
Molecular Weight300.49 g/mol
Exact Mass300.26
IUPAC Name1-[(4-ethylphenyl)methyl]-4-(2-methylcyclohexyl)piperazine
SMILESCCc1ccc(CN2CCN(C3CCCCC3C)CC2)cc1
InChIInChI=1S/C20H32N2/c1-3-18-8-10-19(11-9-18)16-21-12-14-22(15-13-21)20-7-5-4-6-17(20)2/h8-11,17,20H,3-7,12-16H2,1-2H3
InChIKeyIOSGVSNXYJVSHE-UHFFFAOYSA-N
XLogP3.95
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-ethylphenyl)methyl]-4-[(1R,3S)-3-methylcyclohexyl]piperazine
CID 1341022
1-[(2-fluorophenyl)methyl]-4-(2-methylcyclohexyl)piperazine
CID 3501087
1-[(4-ethylphenyl)methyl]-4-methylpiperazine
CID 785815
1-[(4-chlorophenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine
CID 877900
1-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-methylpiperazine
CID 937246
bis(1-[(4-ethylphenyl)methyl]-4-(4-methylcyclohexyl)piperazine);oxalic acid
CID 134264054
4-bromo-1-[(4-ethylphenyl)methyl]piperidine
CID 80679591
1-[(4-ethylphenyl)methyl]-4-(3-methylpiperidin-1-yl)piperidine
CID 2910705
1-[(4-ethylphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 881940
1-[(1R,2S)-2-methylcyclohexyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 1148341
4-ethyl-1-[(4-ethylphenyl)methyl]-6-methyl-1,5-diazocane
CID 106900686
1-(2-chloroethyl)-4-[(4-ethylphenyl)methyl]piperazine
CID 63386568

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylphenyl)methyl]-4-(2-methylcyclohexyl)piperazine?
The IUPAC name of 1-[(4-ethylphenyl)methyl]-4-(2-methylcyclohexyl)piperazine (CID 5138395) is 1-[(4-ethylphenyl)methyl]-4-(2-methylcyclohexyl)piperazine.
What is the SMILES notation for 1-[(4-ethylphenyl)methyl]-4-(2-methylcyclohexyl)piperazine?
The canonical SMILES for 1-[(4-ethylphenyl)methyl]-4-(2-methylcyclohexyl)piperazine is CCc1ccc(CN2CCN(C3CCCCC3C)CC2)cc1.
What is the InChIKey of 1-[(4-ethylphenyl)methyl]-4-(2-methylcyclohexyl)piperazine?
The InChIKey is IOSGVSNXYJVSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2/c1-3-18-8-10-19(11-9-18)16-21-12-14-22(15-13-21)20-7-5-4-6-17(20)2/h8-11,17,20H,3-7,12-16H2,1-2H3.
What are the key properties of 1-[(4-ethylphenyl)methyl]-4-(2-methylcyclohexyl)piperazine?
1-[(4-ethylphenyl)methyl]-4-(2-methylcyclohexyl)piperazine has a molecular weight of 300.49 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylphenyl)methyl]-4-(2-methylcyclohexyl)piperazine is sourced from PubChem (CID 5138395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).