1-ethoxy-3-[4-[2-(4-methylpentan-2-ylideneamino)ethyl]piperazin-1-yl]propan-2-ol

C17H35N3O2 — CID 59804667

IUPAC1-ethoxy-3-[4-[2-(4-methylpentan-2-ylideneamino)ethyl]piperazin-1-yl]propan-2-ol
SMILESCCOCC(O)CN1CCN(CC/N=C(\C)CC(C)C)CC1
InChIInChI=1S/C17H35N3O2/c1-5-22-14-17(21)13-20-10-8-19(9-11-20)7-6-18-16(4)12-15(2)3/h15,17,21H,5-14H2,1-4H3/b18-16+
InChIKeyUIDSBKTUOXYBHQ-FBMGVBCBSA-N
MW313.49 g/mol
LogP1.51
Rot. Bonds10

About 1-ethoxy-3-[4-[2-(4-methylpentan-2-ylideneamino)ethyl]piperazin-1-yl]propan-2-ol

1-ethoxy-3-[4-[2-(4-methylpentan-2-ylideneamino)ethyl]piperazin-1-yl]propan-2-ol (PubChem CID 59804667) has the molecular formula C17H35N3O2 and a molecular weight of 313.49 g/mol. Its IUPAC name is 1-ethoxy-3-[4-[2-(4-methylpentan-2-ylideneamino)ethyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-[4-[2-(4-methylpentan-2-ylideneamino)ethyl]piperazin-1-yl]propan-2-ol
PubChem CID59804667
Molecular FormulaC17H35N3O2
Molecular Weight313.49 g/mol
Exact Mass313.27
IUPAC Name1-ethoxy-3-[4-[2-(4-methylpentan-2-ylideneamino)ethyl]piperazin-1-yl]propan-2-ol
SMILESCCOCC(O)CN1CCN(CC/N=C(\C)CC(C)C)CC1
InChIInChI=1S/C17H35N3O2/c1-5-22-14-17(21)13-20-10-8-19(9-11-20)7-6-18-16(4)12-15(2)3/h15,17,21H,5-14H2,1-4H3/b18-16+
InChIKeyUIDSBKTUOXYBHQ-FBMGVBCBSA-N
XLogP1.51
TPSA48.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxy-3-[4-(2-hydroxy-3-propan-2-yloxypropyl)-1,4-diazepan-1-yl]propan-2-ol
CID 86763990
1-(4,4-dimethylpiperidin-1-yl)-3-ethoxypropan-2-ol
CID 63931924
1-(4-butan-2-ylpiperidin-1-yl)-3-ethoxypropan-2-ol
CID 126514523
(2R)-1-[4-[(2S)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-2-methylbutan-1-one
CID 95613768
1-ethoxy-3-[4-(propylamino)piperidin-1-yl]propan-2-ol
CID 63932707
1-(3-ethoxy-2-hydroxypropyl)piperidin-4-one
CID 63931756
2-ethyl-6-[4-[2-(4-methylpentan-2-ylideneamino)ethyl]piperazin-1-yl]hexanoic acid
CID 135389578
1-butoxy-3-(4-propylpiperazin-1-yl)propan-2-ol
CID 107263711
1-ethoxy-3-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol
CID 115688731
1-[2-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]propoxy]butan-2-ol
CID 134429316
1-(3,4-dimethylpyrrolidin-1-yl)-3-ethoxypropan-2-ol
CID 79038151
1-ethoxy-3-[4-(ethylaminomethyl)piperidin-1-yl]propan-2-ol
CID 63931587

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-[4-[2-(4-methylpentan-2-ylideneamino)ethyl]piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-ethoxy-3-[4-[2-(4-methylpentan-2-ylideneamino)ethyl]piperazin-1-yl]propan-2-ol (CID 59804667) is 1-ethoxy-3-[4-[2-(4-methylpentan-2-ylideneamino)ethyl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-ethoxy-3-[4-[2-(4-methylpentan-2-ylideneamino)ethyl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-ethoxy-3-[4-[2-(4-methylpentan-2-ylideneamino)ethyl]piperazin-1-yl]propan-2-ol is CCOCC(O)CN1CCN(CC/N=C(\C)CC(C)C)CC1.
What is the InChIKey of 1-ethoxy-3-[4-[2-(4-methylpentan-2-ylideneamino)ethyl]piperazin-1-yl]propan-2-ol?
The InChIKey is UIDSBKTUOXYBHQ-FBMGVBCBSA-N. The full InChI is InChI=1S/C17H35N3O2/c1-5-22-14-17(21)13-20-10-8-19(9-11-20)7-6-18-16(4)12-15(2)3/h15,17,21H,5-14H2,1-4H3/b18-16+.
What are the key properties of 1-ethoxy-3-[4-[2-(4-methylpentan-2-ylideneamino)ethyl]piperazin-1-yl]propan-2-ol?
1-ethoxy-3-[4-[2-(4-methylpentan-2-ylideneamino)ethyl]piperazin-1-yl]propan-2-ol has a molecular weight of 313.49 g/mol, XLogP of 1.51, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-[4-[2-(4-methylpentan-2-ylideneamino)ethyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 59804667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).