4-[4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazin-1-yl]but-1-en-2-amine

C14H27N3O — CID 145427336

IUPAC4-[4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazin-1-yl]but-1-en-2-amine
SMILESC=C(N)CCN1CCN(C(=C)OC(C)(C)C)CC1
InChIInChI=1S/C14H27N3O/c1-12(15)6-7-16-8-10-17(11-9-16)13(2)18-14(3,4)5/h1-2,6-11,15H2,3-5H3
InChIKeyWGJJKLBWVDXVOO-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.75
Rot. Bonds5

About 4-[4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazin-1-yl]but-1-en-2-amine

4-[4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazin-1-yl]but-1-en-2-amine (PubChem CID 145427336) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-[4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazin-1-yl]but-1-en-2-amine.

Molecular Properties

Compound Name4-[4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazin-1-yl]but-1-en-2-amine
PubChem CID145427336
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name4-[4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazin-1-yl]but-1-en-2-amine
SMILESC=C(N)CCN1CCN(C(=C)OC(C)(C)C)CC1
InChIInChI=1S/C14H27N3O/c1-12(15)6-7-16-8-10-17(11-9-16)13(2)18-14(3,4)5/h1-2,6-11,15H2,3-5H3
InChIKeyWGJJKLBWVDXVOO-UHFFFAOYSA-N
XLogP1.75
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-(3-ethoxy-3-oxopropyl)piperazine-1-carboxylate
CID 23000690
1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]azetidin-3-amine
CID 89193717
tert-butyl 4-(2-aminoethyl)piperazine-1-carboxylate;hydrochloride
CID 134159111
3-[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepan-1-yl]propanoic acid
CID 18526454
tert-butyl 4-(3,3-dimethylbutyl)piperazine-1-carboxylate;ethane
CID 143188940
tert-butyl 4-(6-aminohexyl)piperazine-1-carboxylate
CID 171785165
tert-butyl 2-(4-carbamoylpiperazin-1-yl)acetate
CID 11195897
3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propane-1-sulfinic acid
CID 58575809
tert-butyl 4-(3-bromopropyl)piperazine-1-carboxylate
CID 15946517
tert-butyl 2-[4,10-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-7-prop-1-en-2-yl-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 59865517
1-(4-but-1-en-2-ylpiperazin-1-yl)-4,4-dimethylpentan-3-one
CID 118358850
tert-butyl 4-(5-hydroxypentyl)piperazine-1-carboxylate
CID 82123975

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazin-1-yl]but-1-en-2-amine?
The IUPAC name of 4-[4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazin-1-yl]but-1-en-2-amine (CID 145427336) is 4-[4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazin-1-yl]but-1-en-2-amine.
What is the SMILES notation for 4-[4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazin-1-yl]but-1-en-2-amine?
The canonical SMILES for 4-[4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazin-1-yl]but-1-en-2-amine is C=C(N)CCN1CCN(C(=C)OC(C)(C)C)CC1.
What is the InChIKey of 4-[4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazin-1-yl]but-1-en-2-amine?
The InChIKey is WGJJKLBWVDXVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-12(15)6-7-16-8-10-17(11-9-16)13(2)18-14(3,4)5/h1-2,6-11,15H2,3-5H3.
What are the key properties of 4-[4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazin-1-yl]but-1-en-2-amine?
4-[4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazin-1-yl]but-1-en-2-amine has a molecular weight of 253.39 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazin-1-yl]but-1-en-2-amine is sourced from PubChem (CID 145427336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).