5-butan-2-yl-2-cyclopropyl-1-(2-ethylhexyl)piperazine

C19H38N2 — CID 64847473

IUPAC5-butan-2-yl-2-cyclopropyl-1-(2-ethylhexyl)piperazine
SMILESCCCCC(CC)CN1CC(C(C)CC)NCC1C1CC1
InChIInChI=1S/C19H38N2/c1-5-8-9-16(7-3)13-21-14-18(15(4)6-2)20-12-19(21)17-10-11-17/h15-20H,5-14H2,1-4H3
InChIKeyWBUWLVWQASRECT-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.30
Rot. Bonds9

About 5-butan-2-yl-2-cyclopropyl-1-(2-ethylhexyl)piperazine

5-butan-2-yl-2-cyclopropyl-1-(2-ethylhexyl)piperazine (PubChem CID 64847473) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 5-butan-2-yl-2-cyclopropyl-1-(2-ethylhexyl)piperazine.

Molecular Properties

Compound Name5-butan-2-yl-2-cyclopropyl-1-(2-ethylhexyl)piperazine
PubChem CID64847473
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name5-butan-2-yl-2-cyclopropyl-1-(2-ethylhexyl)piperazine
SMILESCCCCC(CC)CN1CC(C(C)CC)NCC1C1CC1
InChIInChI=1S/C19H38N2/c1-5-8-9-16(7-3)13-21-14-18(15(4)6-2)20-12-19(21)17-10-11-17/h15-20H,5-14H2,1-4H3
InChIKeyWBUWLVWQASRECT-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-butan-2-yl-1-(2-ethylhexyl)-2-propan-2-ylpiperazine
CID 64849197
2-cyclohexyl-1-(2-ethylbutyl)-5-propan-2-ylpiperazine
CID 82926369
5-butan-2-yl-2-cyclopropyl-1-(2-methylsulfanylethyl)piperazine
CID 113474546
5-butan-2-yl-2-cyclopropyl-1-propan-2-ylpiperazine
CID 64849015
5-butan-2-yl-2-cyclopropyl-1-[3-(2-methoxyethoxy)propyl]piperazine
CID 103414273
5-butan-2-yl-2-cyclopropyl-1-pentan-2-ylpiperazine
CID 114013061
1-(2-bicyclo[2.2.1]heptanylmethyl)-5-butan-2-yl-2-cyclopropylpiperazine
CID 79559224
5-butan-2-yl-2-cyclopropyl-1-[2-(oxolan-2-yl)ethyl]piperazine
CID 65170235
5-butan-2-yl-2-cyclohexyl-1-methylpiperazine
CID 64847673
5-[(5-butan-2-yl-2-cyclopropylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644908
5-butan-2-yl-2-cyclopropyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64848434
1-[(3-bromothiophen-2-yl)methyl]-5-butan-2-yl-2-cyclopropylpiperazine
CID 64848627

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-cyclopropyl-1-(2-ethylhexyl)piperazine?
The IUPAC name of 5-butan-2-yl-2-cyclopropyl-1-(2-ethylhexyl)piperazine (CID 64847473) is 5-butan-2-yl-2-cyclopropyl-1-(2-ethylhexyl)piperazine.
What is the SMILES notation for 5-butan-2-yl-2-cyclopropyl-1-(2-ethylhexyl)piperazine?
The canonical SMILES for 5-butan-2-yl-2-cyclopropyl-1-(2-ethylhexyl)piperazine is CCCCC(CC)CN1CC(C(C)CC)NCC1C1CC1.
What is the InChIKey of 5-butan-2-yl-2-cyclopropyl-1-(2-ethylhexyl)piperazine?
The InChIKey is WBUWLVWQASRECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-5-8-9-16(7-3)13-21-14-18(15(4)6-2)20-12-19(21)17-10-11-17/h15-20H,5-14H2,1-4H3.
What are the key properties of 5-butan-2-yl-2-cyclopropyl-1-(2-ethylhexyl)piperazine?
5-butan-2-yl-2-cyclopropyl-1-(2-ethylhexyl)piperazine has a molecular weight of 294.53 g/mol, XLogP of 4.30, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-cyclopropyl-1-(2-ethylhexyl)piperazine is sourced from PubChem (CID 64847473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).