5-cyclopropyl-1-[1-(2-methylphenyl)ethyl]-2-propan-2-ylpiperazine

C19H30N2 — CID 64947427

IUPAC5-cyclopropyl-1-[1-(2-methylphenyl)ethyl]-2-propan-2-ylpiperazine
SMILESCc1ccccc1C(C)N1CC(C2CC2)NCC1C(C)C
InChIInChI=1S/C19H30N2/c1-13(2)19-11-20-18(16-9-10-16)12-21(19)15(4)17-8-6-5-7-14(17)3/h5-8,13,15-16,18-20H,9-12H2,1-4H3
InChIKeyBDBAYLBZUIVJHR-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.76
Rot. Bonds4

About 5-cyclopropyl-1-[1-(2-methylphenyl)ethyl]-2-propan-2-ylpiperazine

5-cyclopropyl-1-[1-(2-methylphenyl)ethyl]-2-propan-2-ylpiperazine (PubChem CID 64947427) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 5-cyclopropyl-1-[1-(2-methylphenyl)ethyl]-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-cyclopropyl-1-[1-(2-methylphenyl)ethyl]-2-propan-2-ylpiperazine
PubChem CID64947427
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name5-cyclopropyl-1-[1-(2-methylphenyl)ethyl]-2-propan-2-ylpiperazine
SMILESCc1ccccc1C(C)N1CC(C2CC2)NCC1C(C)C
InChIInChI=1S/C19H30N2/c1-13(2)19-11-20-18(16-9-10-16)12-21(19)15(4)17-8-6-5-7-14(17)3/h5-8,13,15-16,18-20H,9-12H2,1-4H3
InChIKeyBDBAYLBZUIVJHR-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-cyclopropyl-2-methyl-1-[1-(2-methylphenyl)ethyl]piperazine
CID 64948199
1-[1-(5-chlorothiophen-2-yl)ethyl]-5-cyclopropyl-2-propan-2-ylpiperazine
CID 64947386
5-cyclopropyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-propan-2-ylpiperazine
CID 64940311
5-cyclopropyl-1-(4-methyl-3-pyridinyl)-2-propan-2-ylpiperazine
CID 64939851
5-cyclopropyl-1-(1-methoxypropan-2-yl)-2-propan-2-ylpiperazine
CID 64932375
5-cyclopropyl-1-(3-methylpentan-2-yl)-2-propan-2-ylpiperazine
CID 64934402
(3aR,6aS)-5-[1-(2-methylphenyl)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 114042199
5-cyclopropyl-1-[(2-methoxyphenyl)methyl]-2-propan-2-ylpiperazine
CID 64861840
5-cyclopropyl-1-[2-(2-fluorophenyl)ethyl]-2-propan-2-ylpiperazine
CID 64932196
5-cyclopropyl-1-(2,6-dibromophenyl)-2-propan-2-ylpiperazine
CID 107603823
5-cyclohexyl-1-(1-cyclopropylethyl)-2-propan-2-ylpiperazine
CID 64934247
5-butan-2-yl-2-methyl-1-[1-(2-methylphenyl)ethyl]piperazine
CID 64939080

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-[1-(2-methylphenyl)ethyl]-2-propan-2-ylpiperazine?
The IUPAC name of 5-cyclopropyl-1-[1-(2-methylphenyl)ethyl]-2-propan-2-ylpiperazine (CID 64947427) is 5-cyclopropyl-1-[1-(2-methylphenyl)ethyl]-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-cyclopropyl-1-[1-(2-methylphenyl)ethyl]-2-propan-2-ylpiperazine?
The canonical SMILES for 5-cyclopropyl-1-[1-(2-methylphenyl)ethyl]-2-propan-2-ylpiperazine is Cc1ccccc1C(C)N1CC(C2CC2)NCC1C(C)C.
What is the InChIKey of 5-cyclopropyl-1-[1-(2-methylphenyl)ethyl]-2-propan-2-ylpiperazine?
The InChIKey is BDBAYLBZUIVJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-13(2)19-11-20-18(16-9-10-16)12-21(19)15(4)17-8-6-5-7-14(17)3/h5-8,13,15-16,18-20H,9-12H2,1-4H3.
What are the key properties of 5-cyclopropyl-1-[1-(2-methylphenyl)ethyl]-2-propan-2-ylpiperazine?
5-cyclopropyl-1-[1-(2-methylphenyl)ethyl]-2-propan-2-ylpiperazine has a molecular weight of 286.46 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-[1-(2-methylphenyl)ethyl]-2-propan-2-ylpiperazine is sourced from PubChem (CID 64947427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).