2-[4-[(E)-2-methyl-3-(3-methylbutan-2-ylideneamino)prop-2-enyl]piperazin-1-yl]ethanol

C15H29N3O — CID 142358695

IUPAC2-[4-[(E)-2-methyl-3-(3-methylbutan-2-ylideneamino)prop-2-enyl]piperazin-1-yl]ethanol
SMILESC/C(=C\N=C(/C)C(C)C)CN1CCN(CCO)CC1
InChIInChI=1S/C15H29N3O/c1-13(2)15(4)16-11-14(3)12-18-7-5-17(6-8-18)9-10-19/h11,13,19H,5-10,12H2,1-4H3/b14-11+,16-15+
InChIKeyQYGWBLVTHUPJQA-LPVXAABHSA-N
MW267.42 g/mol
LogP1.62
Rot. Bonds6

About 2-[4-[(E)-2-methyl-3-(3-methylbutan-2-ylideneamino)prop-2-enyl]piperazin-1-yl]ethanol

2-[4-[(E)-2-methyl-3-(3-methylbutan-2-ylideneamino)prop-2-enyl]piperazin-1-yl]ethanol (PubChem CID 142358695) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-[4-[(E)-2-methyl-3-(3-methylbutan-2-ylideneamino)prop-2-enyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(E)-2-methyl-3-(3-methylbutan-2-ylideneamino)prop-2-enyl]piperazin-1-yl]ethanol
PubChem CID142358695
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-[4-[(E)-2-methyl-3-(3-methylbutan-2-ylideneamino)prop-2-enyl]piperazin-1-yl]ethanol
SMILESC/C(=C\N=C(/C)C(C)C)CN1CCN(CCO)CC1
InChIInChI=1S/C15H29N3O/c1-13(2)15(4)16-11-14(3)12-18-7-5-17(6-8-18)9-10-19/h11,13,19H,5-10,12H2,1-4H3/b14-11+,16-15+
InChIKeyQYGWBLVTHUPJQA-LPVXAABHSA-N
XLogP1.62
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-propan-2-ylpiperazin-1-yl)ethanol
CID 4739630
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CID 18512424
2-(4-ethylpiperazin-1-yl)ethanol;methane
CID 162265705
N-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methylpropanamide
CID 82163304
2-(4-methanidylpiperazin-1-yl)ethanol
CID 20723281
ethane;2-(4-methylpiperazin-1-yl)ethanol;vanadium
CID 176984837
2-(4-prop-2-enylpiperazin-1-yl)ethanol
CID 4739633
1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 4739629
2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]ethanol
CID 66222329
2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol;[4-(hydroxymethyl)piperazin-1-yl]methanol
CID 69172076
2-[4-[(2S)-6-methylhept-5-en-2-yl]piperazin-1-yl]ethanol
CID 125482763

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-2-methyl-3-(3-methylbutan-2-ylideneamino)prop-2-enyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[(E)-2-methyl-3-(3-methylbutan-2-ylideneamino)prop-2-enyl]piperazin-1-yl]ethanol (CID 142358695) is 2-[4-[(E)-2-methyl-3-(3-methylbutan-2-ylideneamino)prop-2-enyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(E)-2-methyl-3-(3-methylbutan-2-ylideneamino)prop-2-enyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[(E)-2-methyl-3-(3-methylbutan-2-ylideneamino)prop-2-enyl]piperazin-1-yl]ethanol is C/C(=C\N=C(/C)C(C)C)CN1CCN(CCO)CC1.
What is the InChIKey of 2-[4-[(E)-2-methyl-3-(3-methylbutan-2-ylideneamino)prop-2-enyl]piperazin-1-yl]ethanol?
The InChIKey is QYGWBLVTHUPJQA-LPVXAABHSA-N. The full InChI is InChI=1S/C15H29N3O/c1-13(2)15(4)16-11-14(3)12-18-7-5-17(6-8-18)9-10-19/h11,13,19H,5-10,12H2,1-4H3/b14-11+,16-15+.
What are the key properties of 2-[4-[(E)-2-methyl-3-(3-methylbutan-2-ylideneamino)prop-2-enyl]piperazin-1-yl]ethanol?
2-[4-[(E)-2-methyl-3-(3-methylbutan-2-ylideneamino)prop-2-enyl]piperazin-1-yl]ethanol has a molecular weight of 267.42 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-2-methyl-3-(3-methylbutan-2-ylideneamino)prop-2-enyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 142358695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).