1-(4-but-1-en-2-ylcyclohexyl)-4-propan-2-ylpiperazine

C17H32N2 — CID 169188759

IUPAC1-(4-but-1-en-2-ylcyclohexyl)-4-propan-2-ylpiperazine
SMILESC=C(CC)C1CCC(N2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C17H32N2/c1-5-15(4)16-6-8-17(9-7-16)19-12-10-18(11-13-19)14(2)3/h14,16-17H,4-13H2,1-3H3
InChIKeyGMJUXIKWWNASFJ-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.54
Rot. Bonds4

About 1-(4-but-1-en-2-ylcyclohexyl)-4-propan-2-ylpiperazine

1-(4-but-1-en-2-ylcyclohexyl)-4-propan-2-ylpiperazine (PubChem CID 169188759) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 1-(4-but-1-en-2-ylcyclohexyl)-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(4-but-1-en-2-ylcyclohexyl)-4-propan-2-ylpiperazine
PubChem CID169188759
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name1-(4-but-1-en-2-ylcyclohexyl)-4-propan-2-ylpiperazine
SMILESC=C(CC)C1CCC(N2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C17H32N2/c1-5-15(4)16-6-8-17(9-7-16)19-12-10-18(11-13-19)14(2)3/h14,16-17H,4-13H2,1-3H3
InChIKeyGMJUXIKWWNASFJ-UHFFFAOYSA-N
XLogP3.54
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-4-propan-2-ylpiperazine
CID 59855791
1-cyclopropyl-4-propan-2-ylpiperazine;ethane
CID 169164545
cyclopropyl-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]methanone
CID 130296017
2-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]ethanol
CID 156683774
ethane;1-propan-2-yl-4-(4-propan-2-ylcyclohexyl)piperazine
CID 171508742
1-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]ethanone
CID 156836562
[4-(5-methylhexyl)piperidin-1-yl]-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methanone
CID 171093271
4-(4-cyclopropylpiperazin-1-yl)pentan-2-amine
CID 64706994
1-methylidene-4-(4-propan-2-ylpiperazin-1-yl)thiane 1-oxide
CID 159752360
1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine
CID 58904691
1-[1-(3-methylpentyl)piperidin-4-yl]-4-propan-2-ylpiperazine
CID 177178708
1-(1-cyclohexylazetidin-3-yl)-4-propan-2-ylpiperazine
CID 126892268

Frequently Asked Questions

What is the IUPAC name of 1-(4-but-1-en-2-ylcyclohexyl)-4-propan-2-ylpiperazine?
The IUPAC name of 1-(4-but-1-en-2-ylcyclohexyl)-4-propan-2-ylpiperazine (CID 169188759) is 1-(4-but-1-en-2-ylcyclohexyl)-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-(4-but-1-en-2-ylcyclohexyl)-4-propan-2-ylpiperazine?
The canonical SMILES for 1-(4-but-1-en-2-ylcyclohexyl)-4-propan-2-ylpiperazine is C=C(CC)C1CCC(N2CCN(C(C)C)CC2)CC1.
What is the InChIKey of 1-(4-but-1-en-2-ylcyclohexyl)-4-propan-2-ylpiperazine?
The InChIKey is GMJUXIKWWNASFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-5-15(4)16-6-8-17(9-7-16)19-12-10-18(11-13-19)14(2)3/h14,16-17H,4-13H2,1-3H3.
What are the key properties of 1-(4-but-1-en-2-ylcyclohexyl)-4-propan-2-ylpiperazine?
1-(4-but-1-en-2-ylcyclohexyl)-4-propan-2-ylpiperazine has a molecular weight of 264.46 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-but-1-en-2-ylcyclohexyl)-4-propan-2-ylpiperazine is sourced from PubChem (CID 169188759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).