methanamine;4-[(3E,5Z)-7-(2-methoxyethoxy)hepta-1,3,5-trien-4-yl]piperidin-4-ol

C16H30N2O3 — CID 142099574

IUPACmethanamine;4-[(3E,5Z)-7-(2-methoxyethoxy)hepta-1,3,5-trien-4-yl]piperidin-4-ol
SMILESC=C/C=C(\C=C/COCCOC)C1(O)CCNCC1.CN
InChIInChI=1S/C15H25NO3.CH5N/c1-3-5-14(6-4-11-19-13-12-18-2)15(17)7-9-16-10-8-15;1-2/h3-6,16-17H,1,7-13H2,2H3;2H2,1H3/b6-4-,14-5+;
InChIKeyVCJMLUCZZIHNPJ-PUFLIBLQSA-N
MW298.43 g/mol
LogP1.01
Rot. Bonds8

About methanamine;4-[(3E,5Z)-7-(2-methoxyethoxy)hepta-1,3,5-trien-4-yl]piperidin-4-ol

methanamine;4-[(3E,5Z)-7-(2-methoxyethoxy)hepta-1,3,5-trien-4-yl]piperidin-4-ol (PubChem CID 142099574) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is methanamine;4-[(3E,5Z)-7-(2-methoxyethoxy)hepta-1,3,5-trien-4-yl]piperidin-4-ol.

Molecular Properties

Compound Namemethanamine;4-[(3E,5Z)-7-(2-methoxyethoxy)hepta-1,3,5-trien-4-yl]piperidin-4-ol
PubChem CID142099574
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Namemethanamine;4-[(3E,5Z)-7-(2-methoxyethoxy)hepta-1,3,5-trien-4-yl]piperidin-4-ol
SMILESC=C/C=C(\C=C/COCCOC)C1(O)CCNCC1.CN
InChIInChI=1S/C15H25NO3.CH5N/c1-3-5-14(6-4-11-19-13-12-18-2)15(17)7-9-16-10-8-15;1-2/h3-6,16-17H,1,7-13H2,2H3;2H2,1H3/b6-4-,14-5+;
InChIKeyVCJMLUCZZIHNPJ-PUFLIBLQSA-N
XLogP1.01
TPSA76.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methanamine;4-[(3E,5Z)-7-(2-methoxyethoxy)hepta-1,3,5-trien-4-yl]piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-(2-methoxyethoxymethyl)piperidine-4-carboxylate
CID 70869304
4-(2-methoxyethoxy)but-2-en-1-amine
CID 77110475
4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidine-4-carbonitrile
CID 143443266
(6E)-8-(2-methoxyethoxy)octa-1,6-diene
CID 11344418
2-(3-methoxypropoxy)ethyl 4-methylpiperidine-4-carboxylate
CID 103178608
ethyl 4-(2-methoxyethyl)piperidine-4-carboxylate
CID 56753969
(3Z,5Z)-7-methoxy-4-methylhepta-1,3,5-triene
CID 89381358
ethane;4-[(3E)-hexa-1,3,5-trien-3-yl]piperidine-4-carbonitrile
CID 143493874
(2Z,4Z)-4-(3-methoxypropyl)hepta-2,4,6-trien-1-amine
CID 143714331
ethane;4-(methoxymethyl)piperidin-4-ol
CID 143945280
4-methyl-4-penta-2,4-dien-2-ylpiperidine
CID 123383540
2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-ethylpyrrolidine-3-carboxylate
CID 104562939

Frequently Asked Questions

What is the IUPAC name of methanamine;4-[(3E,5Z)-7-(2-methoxyethoxy)hepta-1,3,5-trien-4-yl]piperidin-4-ol?
The IUPAC name of methanamine;4-[(3E,5Z)-7-(2-methoxyethoxy)hepta-1,3,5-trien-4-yl]piperidin-4-ol (CID 142099574) is methanamine;4-[(3E,5Z)-7-(2-methoxyethoxy)hepta-1,3,5-trien-4-yl]piperidin-4-ol.
What is the SMILES notation for methanamine;4-[(3E,5Z)-7-(2-methoxyethoxy)hepta-1,3,5-trien-4-yl]piperidin-4-ol?
The canonical SMILES for methanamine;4-[(3E,5Z)-7-(2-methoxyethoxy)hepta-1,3,5-trien-4-yl]piperidin-4-ol is C=C/C=C(\C=C/COCCOC)C1(O)CCNCC1.CN.
What is the InChIKey of methanamine;4-[(3E,5Z)-7-(2-methoxyethoxy)hepta-1,3,5-trien-4-yl]piperidin-4-ol?
The InChIKey is VCJMLUCZZIHNPJ-PUFLIBLQSA-N. The full InChI is InChI=1S/C15H25NO3.CH5N/c1-3-5-14(6-4-11-19-13-12-18-2)15(17)7-9-16-10-8-15;1-2/h3-6,16-17H,1,7-13H2,2H3;2H2,1H3/b6-4-,14-5+;.
What are the key properties of methanamine;4-[(3E,5Z)-7-(2-methoxyethoxy)hepta-1,3,5-trien-4-yl]piperidin-4-ol?
methanamine;4-[(3E,5Z)-7-(2-methoxyethoxy)hepta-1,3,5-trien-4-yl]piperidin-4-ol has a molecular weight of 298.43 g/mol, XLogP of 1.01, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;4-[(3E,5Z)-7-(2-methoxyethoxy)hepta-1,3,5-trien-4-yl]piperidin-4-ol is sourced from PubChem (CID 142099574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).