1-(2-but-3-enoxyethyl)-2-propan-2-ylpiperazine

C13H26N2O — CID 106409067

IUPAC1-(2-but-3-enoxyethyl)-2-propan-2-ylpiperazine
SMILESC=CCCOCCN1CCNCC1C(C)C
InChIInChI=1S/C13H26N2O/c1-4-5-9-16-10-8-15-7-6-14-11-13(15)12(2)3/h4,12-14H,1,5-11H2,2-3H3
InChIKeyVWYOFYIJKIROHR-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.51
Rot. Bonds7

About 1-(2-but-3-enoxyethyl)-2-propan-2-ylpiperazine

1-(2-but-3-enoxyethyl)-2-propan-2-ylpiperazine (PubChem CID 106409067) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-(2-but-3-enoxyethyl)-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(2-but-3-enoxyethyl)-2-propan-2-ylpiperazine
PubChem CID106409067
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-(2-but-3-enoxyethyl)-2-propan-2-ylpiperazine
SMILESC=CCCOCCN1CCNCC1C(C)C
InChIInChI=1S/C13H26N2O/c1-4-5-9-16-10-8-15-7-6-14-11-13(15)12(2)3/h4,12-14H,1,5-11H2,2-3H3
InChIKeyVWYOFYIJKIROHR-UHFFFAOYSA-N
XLogP1.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-morpholin-4-ylethyl)pent-4-en-1-amine
CID 64316703
(Z)-4-methoxy-3-N-methyl-4-[(3S)-3-methylmorpholin-4-yl]but-1-ene-1,3-diamine
CID 130180452
(Z)-3-methyl-2-[(2R)-2-methylmorpholin-4-yl]hept-4-en-1-amine
CID 134291680
4-[[(3S)-1,4-dimethyl-3,4-dihydro-2H-pyridin-3-yl]oxy]piperidin-3-amine
CID 134321765
4-[[(3R)-1,4-dimethyl-3,4-dihydro-2H-pyridin-3-yl]oxy]piperidin-3-amine
CID 149260634
4-[(1,4-dimethyl-3,4-dihydro-2H-pyridin-3-yl)oxy]piperidin-3-amine
CID 149260636
2-methyl-N-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]but-3-en-1-amine
CID 156795387
(3R)-3-but-3-en-2-yl-2,5-dimethoxypiperazine
CID 163976215
1-methoxy-N-methylbut-3-en-2-amine;1-methylpiperazine
CID 176675845
2-methyl-N-(3-morpholin-4-ylpropyl)hex-5-en-3-amine
CID 4711961
N-(2-morpholin-4-ylethyl)hept-1-en-4-amine
CID 4712394
2-methyl-N-(2-morpholin-4-ylethyl)hex-5-en-3-amine
CID 4712397

Frequently Asked Questions

What is the IUPAC name of 1-(2-but-3-enoxyethyl)-2-propan-2-ylpiperazine?
The IUPAC name of 1-(2-but-3-enoxyethyl)-2-propan-2-ylpiperazine (CID 106409067) is 1-(2-but-3-enoxyethyl)-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-(2-but-3-enoxyethyl)-2-propan-2-ylpiperazine?
The canonical SMILES for 1-(2-but-3-enoxyethyl)-2-propan-2-ylpiperazine is C=CCCOCCN1CCNCC1C(C)C.
What is the InChIKey of 1-(2-but-3-enoxyethyl)-2-propan-2-ylpiperazine?
The InChIKey is VWYOFYIJKIROHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-5-9-16-10-8-15-7-6-14-11-13(15)12(2)3/h4,12-14H,1,5-11H2,2-3H3.
What are the key properties of 1-(2-but-3-enoxyethyl)-2-propan-2-ylpiperazine?
1-(2-but-3-enoxyethyl)-2-propan-2-ylpiperazine has a molecular weight of 226.36 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-but-3-enoxyethyl)-2-propan-2-ylpiperazine is sourced from PubChem (CID 106409067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).