5-butan-2-yl-1-pent-1-yn-3-yl-2-propan-2-ylpiperazine

C16H30N2 — CID 106224498

IUPAC5-butan-2-yl-1-pent-1-yn-3-yl-2-propan-2-ylpiperazine
SMILESC#CC(CC)N1CC(C(C)CC)NCC1C(C)C
InChIInChI=1S/C16H30N2/c1-7-13(6)15-11-18(14(8-2)9-3)16(10-17-15)12(4)5/h2,12-17H,7,9-11H2,1,3-6H3
InChIKeyBKWKFBVKKLNUSW-UHFFFAOYSA-N
MW250.43 g/mol
LogP2.74
Rot. Bonds5

About 5-butan-2-yl-1-pent-1-yn-3-yl-2-propan-2-ylpiperazine

5-butan-2-yl-1-pent-1-yn-3-yl-2-propan-2-ylpiperazine (PubChem CID 106224498) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 5-butan-2-yl-1-pent-1-yn-3-yl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-butan-2-yl-1-pent-1-yn-3-yl-2-propan-2-ylpiperazine
PubChem CID106224498
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name5-butan-2-yl-1-pent-1-yn-3-yl-2-propan-2-ylpiperazine
SMILESC#CC(CC)N1CC(C(C)CC)NCC1C(C)C
InChIInChI=1S/C16H30N2/c1-7-13(6)15-11-18(14(8-2)9-3)16(10-17-15)12(4)5/h2,12-17H,7,9-11H2,1,3-6H3
InChIKeyBKWKFBVKKLNUSW-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-pent-1-yn-3-yl-5-propan-2-ylpiperazine
CID 106224486
5-butan-2-yl-1-(1-cyclopropylethyl)-2-propan-2-ylpiperazine
CID 64939021
5-butan-2-yl-1-but-3-yn-2-yl-2-methylpiperazine
CID 114420432
2-[1-(5-butan-2-yl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,3-oxazole
CID 106389954
2-[1-(5-butan-2-yl-2-propan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazole
CID 64936499
5-butan-2-yl-1-(2-methyl-2-methylsulfonylpropyl)-2-propan-2-ylpiperazine
CID 79558802
2-pent-1-yn-3-yl-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 114160540
5-butan-2-yl-1-(2-methyl-3-methylsulfanylpropyl)-2-propan-2-ylpiperazine
CID 64937634
5-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-2-propan-2-ylpiperazine
CID 107901638
5-butan-2-yl-1-[(4-methylcyclohexyl)methyl]-2-propan-2-ylpiperazine
CID 64937815
5-butan-2-yl-1-(2-ethylhexyl)-2-propan-2-ylpiperazine
CID 64849197
5-butan-2-yl-2-cyclopropyl-1-propan-2-ylpiperazine
CID 64849015

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-1-pent-1-yn-3-yl-2-propan-2-ylpiperazine?
The IUPAC name of 5-butan-2-yl-1-pent-1-yn-3-yl-2-propan-2-ylpiperazine (CID 106224498) is 5-butan-2-yl-1-pent-1-yn-3-yl-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-butan-2-yl-1-pent-1-yn-3-yl-2-propan-2-ylpiperazine?
The canonical SMILES for 5-butan-2-yl-1-pent-1-yn-3-yl-2-propan-2-ylpiperazine is C#CC(CC)N1CC(C(C)CC)NCC1C(C)C.
What is the InChIKey of 5-butan-2-yl-1-pent-1-yn-3-yl-2-propan-2-ylpiperazine?
The InChIKey is BKWKFBVKKLNUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-7-13(6)15-11-18(14(8-2)9-3)16(10-17-15)12(4)5/h2,12-17H,7,9-11H2,1,3-6H3.
What are the key properties of 5-butan-2-yl-1-pent-1-yn-3-yl-2-propan-2-ylpiperazine?
5-butan-2-yl-1-pent-1-yn-3-yl-2-propan-2-ylpiperazine has a molecular weight of 250.43 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-1-pent-1-yn-3-yl-2-propan-2-ylpiperazine is sourced from PubChem (CID 106224498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).