5-butan-2-yl-2-cyclopropyl-1-pentan-2-ylpiperazine

C16H32N2 — CID 114013061

IUPAC5-butan-2-yl-2-cyclopropyl-1-pentan-2-ylpiperazine
SMILESCCCC(C)N1CC(C(C)CC)NCC1C1CC1
InChIInChI=1S/C16H32N2/c1-5-7-13(4)18-11-15(12(3)6-2)17-10-16(18)14-8-9-14/h12-17H,5-11H2,1-4H3
InChIKeyYXXYMOUJENNVFM-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.27
Rot. Bonds6

About 5-butan-2-yl-2-cyclopropyl-1-pentan-2-ylpiperazine

5-butan-2-yl-2-cyclopropyl-1-pentan-2-ylpiperazine (PubChem CID 114013061) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 5-butan-2-yl-2-cyclopropyl-1-pentan-2-ylpiperazine.

Molecular Properties

Compound Name5-butan-2-yl-2-cyclopropyl-1-pentan-2-ylpiperazine
PubChem CID114013061
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name5-butan-2-yl-2-cyclopropyl-1-pentan-2-ylpiperazine
SMILESCCCC(C)N1CC(C(C)CC)NCC1C1CC1
InChIInChI=1S/C16H32N2/c1-5-7-13(4)18-11-15(12(3)6-2)17-10-16(18)14-8-9-14/h12-17H,5-11H2,1-4H3
InChIKeyYXXYMOUJENNVFM-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-1-pentan-2-yl-5-propan-2-ylpiperazine
CID 114013050
5-butan-2-yl-2-cyclopropyl-1-propan-2-ylpiperazine
CID 64849015
5-butan-2-yl-2-cyclohexyl-1-methylpiperazine
CID 64847673
5-butan-2-yl-2-cyclopropyl-1-(2-ethylhexyl)piperazine
CID 64847473
1-butan-2-yl-2-cyclopropyl-5-ethylpiperazine
CID 79444836
5-butan-2-yl-1-heptan-2-yl-2-methylpiperazine
CID 64938498
5-butan-2-yl-2-ethyl-1-hexan-2-ylpiperazine
CID 64936824
2-butan-2-yl-5-cyclopropyl-1-pentan-2-ylpiperazine
CID 114013068
5-butan-2-yl-2-cyclopropyl-1-(2-methylsulfanylethyl)piperazine
CID 113474546
5-butan-2-yl-2-methyl-1-(5-methylhexan-2-yl)piperazine
CID 64938208
1-(2-bicyclo[2.2.1]heptanylmethyl)-5-butan-2-yl-2-cyclopropylpiperazine
CID 79559224
5-butan-2-yl-2-cyclopropyl-1-[3-(2-methoxyethoxy)propyl]piperazine
CID 103414273

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-cyclopropyl-1-pentan-2-ylpiperazine?
The IUPAC name of 5-butan-2-yl-2-cyclopropyl-1-pentan-2-ylpiperazine (CID 114013061) is 5-butan-2-yl-2-cyclopropyl-1-pentan-2-ylpiperazine.
What is the SMILES notation for 5-butan-2-yl-2-cyclopropyl-1-pentan-2-ylpiperazine?
The canonical SMILES for 5-butan-2-yl-2-cyclopropyl-1-pentan-2-ylpiperazine is CCCC(C)N1CC(C(C)CC)NCC1C1CC1.
What is the InChIKey of 5-butan-2-yl-2-cyclopropyl-1-pentan-2-ylpiperazine?
The InChIKey is YXXYMOUJENNVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-5-7-13(4)18-11-15(12(3)6-2)17-10-16(18)14-8-9-14/h12-17H,5-11H2,1-4H3.
What are the key properties of 5-butan-2-yl-2-cyclopropyl-1-pentan-2-ylpiperazine?
5-butan-2-yl-2-cyclopropyl-1-pentan-2-ylpiperazine has a molecular weight of 252.45 g/mol, XLogP of 3.27, 6 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-pentan-2-ylpiperazine is sourced from PubChem (CID 114013061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).