2-butan-2-yl-5-cyclopropyl-1-[(3-methylphenyl)methyl]piperazine

C19H30N2 — CID 64862227

IUPAC2-butan-2-yl-5-cyclopropyl-1-[(3-methylphenyl)methyl]piperazine
SMILESCCC(C)C1CNC(C2CC2)CN1Cc1cccc(C)c1
InChIInChI=1S/C19H30N2/c1-4-15(3)19-11-20-18(17-8-9-17)13-21(19)12-16-7-5-6-14(2)10-16/h5-7,10,15,17-20H,4,8-9,11-13H2,1-3H3
InChIKeyOMPVXSBSBQTZEK-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.59
Rot. Bonds5

About 2-butan-2-yl-5-cyclopropyl-1-[(3-methylphenyl)methyl]piperazine

2-butan-2-yl-5-cyclopropyl-1-[(3-methylphenyl)methyl]piperazine (PubChem CID 64862227) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 2-butan-2-yl-5-cyclopropyl-1-[(3-methylphenyl)methyl]piperazine.

Molecular Properties

Compound Name2-butan-2-yl-5-cyclopropyl-1-[(3-methylphenyl)methyl]piperazine
PubChem CID64862227
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name2-butan-2-yl-5-cyclopropyl-1-[(3-methylphenyl)methyl]piperazine
SMILESCCC(C)C1CNC(C2CC2)CN1Cc1cccc(C)c1
InChIInChI=1S/C19H30N2/c1-4-15(3)19-11-20-18(17-8-9-17)13-21(19)12-16-7-5-6-14(2)10-16/h5-7,10,15,17-20H,4,8-9,11-13H2,1-3H3
InChIKeyOMPVXSBSBQTZEK-UHFFFAOYSA-N
XLogP3.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-7-methyl-1-[(3-methylphenyl)methyl]-1,4-diazepane
CID 64870444
2-butan-2-yl-5-cyclopropyl-1-(thiophen-2-ylmethyl)piperazine
CID 64862427
2-butan-2-yl-5-cyclopropyl-1-(2-propan-2-yloxyethyl)piperazine
CID 64862422
2-butan-2-yl-1-[(3-chlorophenyl)methyl]-5-ethylpiperazine
CID 64842906
1-benzyl-2-butan-2-yl-5-methylpiperazine
CID 64845112
2-butan-2-yl-5-ethyl-1-[(3-methoxyphenyl)methyl]piperazine
CID 64841549
1-(2-bicyclo[2.2.1]heptanylmethyl)-2-butan-2-yl-5-cyclopropylpiperazine
CID 79559332
1-[(3-chlorophenyl)methyl]-2,5-dicyclopropylpiperazine
CID 64862434
2-butan-2-yl-5-cyclopropyl-1-(3-methoxypropyl)piperazine
CID 64862424
5-cyclopropyl-2-ethyl-1-[(4-methylphenyl)methyl]piperazine
CID 64861828
2-tert-butyl-1-[(3-chlorophenyl)methyl]-5-cyclopropylpiperazine
CID 64861094
5-cyclopropyl-1-[(5-fluoro-2-methylphenyl)methyl]-2-propan-2-ylpiperazine
CID 105375744

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-5-cyclopropyl-1-[(3-methylphenyl)methyl]piperazine?
The IUPAC name of 2-butan-2-yl-5-cyclopropyl-1-[(3-methylphenyl)methyl]piperazine (CID 64862227) is 2-butan-2-yl-5-cyclopropyl-1-[(3-methylphenyl)methyl]piperazine.
What is the SMILES notation for 2-butan-2-yl-5-cyclopropyl-1-[(3-methylphenyl)methyl]piperazine?
The canonical SMILES for 2-butan-2-yl-5-cyclopropyl-1-[(3-methylphenyl)methyl]piperazine is CCC(C)C1CNC(C2CC2)CN1Cc1cccc(C)c1.
What is the InChIKey of 2-butan-2-yl-5-cyclopropyl-1-[(3-methylphenyl)methyl]piperazine?
The InChIKey is OMPVXSBSBQTZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-4-15(3)19-11-20-18(17-8-9-17)13-21(19)12-16-7-5-6-14(2)10-16/h5-7,10,15,17-20H,4,8-9,11-13H2,1-3H3.
What are the key properties of 2-butan-2-yl-5-cyclopropyl-1-[(3-methylphenyl)methyl]piperazine?
2-butan-2-yl-5-cyclopropyl-1-[(3-methylphenyl)methyl]piperazine has a molecular weight of 286.46 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-5-cyclopropyl-1-[(3-methylphenyl)methyl]piperazine is sourced from PubChem (CID 64862227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).