2,5-diethyl-1-[(4-ethylcyclohexyl)methyl]-5-methylpiperazine

C18H36N2 — CID 64946947

IUPAC2,5-diethyl-1-[(4-ethylcyclohexyl)methyl]-5-methylpiperazine
SMILESCCC1CCC(CN2CC(C)(CC)NCC2CC)CC1
InChIInChI=1S/C18H36N2/c1-5-15-8-10-16(11-9-15)13-20-14-18(4,7-3)19-12-17(20)6-2/h15-17,19H,5-14H2,1-4H3
InChIKeyBDRVGOBHISXYRR-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.06
Rot. Bonds5

About 2,5-diethyl-1-[(4-ethylcyclohexyl)methyl]-5-methylpiperazine

2,5-diethyl-1-[(4-ethylcyclohexyl)methyl]-5-methylpiperazine (PubChem CID 64946947) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 2,5-diethyl-1-[(4-ethylcyclohexyl)methyl]-5-methylpiperazine.

Molecular Properties

Compound Name2,5-diethyl-1-[(4-ethylcyclohexyl)methyl]-5-methylpiperazine
PubChem CID64946947
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name2,5-diethyl-1-[(4-ethylcyclohexyl)methyl]-5-methylpiperazine
SMILESCCC1CCC(CN2CC(C)(CC)NCC2CC)CC1
InChIInChI=1S/C18H36N2/c1-5-15-8-10-16(11-9-15)13-20-14-18(4,7-3)19-12-17(20)6-2/h15-17,19H,5-14H2,1-4H3
InChIKeyBDRVGOBHISXYRR-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclobutylmethyl)-5-ethyl-5-methyl-2-(2-methylpropyl)piperazine
CID 65463085
2-benzyl-1-(cyclopropylmethyl)-5-ethyl-5-methylpiperazine
CID 64849483
1-[(5,5-dimethyloxolan-2-yl)methyl]-2,5-diethyl-5-methylpiperazine
CID 116524523
1-butyl-2,5-diethyl-5-methylpiperazine
CID 64847702
2,5-diethyl-1-[(1-ethylcyclopropyl)methyl]-5-methylpiperazine
CID 114102157
2,5-diethyl-5-methyl-1-prop-2-ynylpiperazine
CID 64933219
1-(cyclohexylmethyl)-5-ethyl-2,5-dimethylpiperazine
CID 64847892
3-(2,5-diethyl-5-methylpiperazin-1-yl)-N,N-dimethylpropan-1-amine
CID 64935969
1-(cyclohexylmethyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 64848291
1-benzyl-2,5-diethyl-5-methylpiperazine
CID 64849828
1-cyclopentyl-2,5-diethyl-5-methylpiperazine
CID 64931233
2,5-diethyl-5-methyl-1-[(2-methylthiolan-2-yl)methyl]piperazine
CID 80730833

Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-1-[(4-ethylcyclohexyl)methyl]-5-methylpiperazine?
The IUPAC name of 2,5-diethyl-1-[(4-ethylcyclohexyl)methyl]-5-methylpiperazine (CID 64946947) is 2,5-diethyl-1-[(4-ethylcyclohexyl)methyl]-5-methylpiperazine.
What is the SMILES notation for 2,5-diethyl-1-[(4-ethylcyclohexyl)methyl]-5-methylpiperazine?
The canonical SMILES for 2,5-diethyl-1-[(4-ethylcyclohexyl)methyl]-5-methylpiperazine is CCC1CCC(CN2CC(C)(CC)NCC2CC)CC1.
What is the InChIKey of 2,5-diethyl-1-[(4-ethylcyclohexyl)methyl]-5-methylpiperazine?
The InChIKey is BDRVGOBHISXYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-5-15-8-10-16(11-9-15)13-20-14-18(4,7-3)19-12-17(20)6-2/h15-17,19H,5-14H2,1-4H3.
What are the key properties of 2,5-diethyl-1-[(4-ethylcyclohexyl)methyl]-5-methylpiperazine?
2,5-diethyl-1-[(4-ethylcyclohexyl)methyl]-5-methylpiperazine has a molecular weight of 280.50 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-1-[(4-ethylcyclohexyl)methyl]-5-methylpiperazine is sourced from PubChem (CID 64946947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).