2-cyclopropyl-1-[(3,5-dimethylphenyl)methyl]-5-ethyl-5-methylpiperazine

C19H30N2 — CID 64847175

IUPAC2-cyclopropyl-1-[(3,5-dimethylphenyl)methyl]-5-ethyl-5-methylpiperazine
SMILESCCC1(C)CN(Cc2cc(C)cc(C)c2)C(C2CC2)CN1
InChIInChI=1S/C19H30N2/c1-5-19(4)13-21(18(11-20-19)17-6-7-17)12-16-9-14(2)8-15(3)10-16/h8-10,17-18,20H,5-7,11-13H2,1-4H3
InChIKeyDUBGOZVBWFFTEI-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.66
Rot. Bonds4

About 2-cyclopropyl-1-[(3,5-dimethylphenyl)methyl]-5-ethyl-5-methylpiperazine

2-cyclopropyl-1-[(3,5-dimethylphenyl)methyl]-5-ethyl-5-methylpiperazine (PubChem CID 64847175) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 2-cyclopropyl-1-[(3,5-dimethylphenyl)methyl]-5-ethyl-5-methylpiperazine.

Molecular Properties

Compound Name2-cyclopropyl-1-[(3,5-dimethylphenyl)methyl]-5-ethyl-5-methylpiperazine
PubChem CID64847175
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name2-cyclopropyl-1-[(3,5-dimethylphenyl)methyl]-5-ethyl-5-methylpiperazine
SMILESCCC1(C)CN(Cc2cc(C)cc(C)c2)C(C2CC2)CN1
InChIInChI=1S/C19H30N2/c1-5-19(4)13-21(18(11-20-19)17-6-7-17)12-16-9-14(2)8-15(3)10-16/h8-10,17-18,20H,5-7,11-13H2,1-4H3
InChIKeyDUBGOZVBWFFTEI-UHFFFAOYSA-N
XLogP3.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-5-ethyl-1-[(4-iodophenyl)methyl]-5-methylpiperazine
CID 65491763
2-cyclopropyl-5-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 107055845
2-cyclopropyl-5-ethyl-1-(3-fluoropropyl)-5-methylpiperazine
CID 81113712
2-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-5,5-dimethylpiperazine
CID 105409978
2-cyclopropyl-1-(3-ethoxypropyl)-5-ethyl-5-methylpiperazine
CID 65177810
1-[(3-bromophenyl)methyl]-2-cyclopropyl-5,5-diethylpiperazine
CID 64861791
2-cyclopropyl-5-ethyl-5-methyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64847174
2-cyclopropyl-1-[(3,4-difluorophenyl)methyl]-5,5-dimethylpiperazine
CID 82925014
1-[(3,5-difluorophenyl)methyl]-2,5-diethyl-5-methylpiperazine
CID 105410083
1-[(3-chlorophenyl)methyl]-2-cyclopropyl-5,5-dimethylpiperazine
CID 64838558
2-cyclohexyl-5-ethyl-5-methyl-1-(2-methylpropyl)piperazine
CID 64849473
2-cyclopropyl-5,5-diethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64861983

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[(3,5-dimethylphenyl)methyl]-5-ethyl-5-methylpiperazine?
The IUPAC name of 2-cyclopropyl-1-[(3,5-dimethylphenyl)methyl]-5-ethyl-5-methylpiperazine (CID 64847175) is 2-cyclopropyl-1-[(3,5-dimethylphenyl)methyl]-5-ethyl-5-methylpiperazine.
What is the SMILES notation for 2-cyclopropyl-1-[(3,5-dimethylphenyl)methyl]-5-ethyl-5-methylpiperazine?
The canonical SMILES for 2-cyclopropyl-1-[(3,5-dimethylphenyl)methyl]-5-ethyl-5-methylpiperazine is CCC1(C)CN(Cc2cc(C)cc(C)c2)C(C2CC2)CN1.
What is the InChIKey of 2-cyclopropyl-1-[(3,5-dimethylphenyl)methyl]-5-ethyl-5-methylpiperazine?
The InChIKey is DUBGOZVBWFFTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-5-19(4)13-21(18(11-20-19)17-6-7-17)12-16-9-14(2)8-15(3)10-16/h8-10,17-18,20H,5-7,11-13H2,1-4H3.
What are the key properties of 2-cyclopropyl-1-[(3,5-dimethylphenyl)methyl]-5-ethyl-5-methylpiperazine?
2-cyclopropyl-1-[(3,5-dimethylphenyl)methyl]-5-ethyl-5-methylpiperazine has a molecular weight of 286.46 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[(3,5-dimethylphenyl)methyl]-5-ethyl-5-methylpiperazine is sourced from PubChem (CID 64847175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).