1-[(2E)-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-3-ol;prop-1-ene

C17H29NO — CID 164543501

IUPAC1-[(2E)-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-3-ol;prop-1-ene
SMILESC=C(C)/C=C(\C=C/C)CN1CCCC(O)C1.C=CC
InChIInChI=1S/C14H23NO.C3H6/c1-4-6-13(9-12(2)3)10-15-8-5-7-14(16)11-15;1-3-2/h4,6,9,14,16H,2,5,7-8,10-11H2,1,3H3;3H,1H2,2H3/b6-4-,13-9+;
InChIKeyXMIRDXMDQKKMCH-TWIAACCASA-N
MW263.43 g/mol
LogP3.71
Rot. Bonds4

About 1-[(2E)-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-3-ol;prop-1-ene

1-[(2E)-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-3-ol;prop-1-ene (PubChem CID 164543501) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-[(2E)-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-3-ol;prop-1-ene.

Molecular Properties

Compound Name1-[(2E)-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-3-ol;prop-1-ene
PubChem CID164543501
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name1-[(2E)-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-3-ol;prop-1-ene
SMILESC=C(C)/C=C(\C=C/C)CN1CCCC(O)C1.C=CC
InChIInChI=1S/C14H23NO.C3H6/c1-4-6-13(9-12(2)3)10-15-8-5-7-14(16)11-15;1-3-2/h4,6,9,14,16H,2,5,7-8,10-11H2,1,3H3;3H,1H2,2H3/b6-4-,13-9+;
InChIKeyXMIRDXMDQKKMCH-TWIAACCASA-N
XLogP3.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(2E)-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-3-ol;prop-1-ene with MolForge

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Related Compounds

Microgrewiapine A
CID 71576920
Cryptophorine
CID 5281684
(2R,3R,6R)-6-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenyl]-1,2-dimethylpiperidin-3-ol
CID 101821061
1-((E)-1,5,9-Trimethyl-deca-4,8-dienyl)-piperidin-3-ol
CID 44271509
rac-(3S,4S)-1-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]piperidine-3,4-diol
CID 129609254
[1-[(2E,4Z)-2-methylhepta-2,4-dienyl]piperidin-4-yl]methanol
CID 122535899
3,3,5,5-tetramethyl-1-[(2Z,4Z)-4-methylhexa-2,4-dienyl]piperidin-4-ol
CID 139470817
1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-ol;ethane
CID 142428230
1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-ol
CID 142428231
ethane;1-[5-ethenyl-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol
CID 142428381
Ethane;7-fluoro-2-methylcyclohepta-1,3-diene;1-methylpiperidin-3-ol
CID 143099799
1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-ol
CID 143150891

Frequently Asked Questions

What is the IUPAC name of 1-[(2E)-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-3-ol;prop-1-ene?
The IUPAC name of 1-[(2E)-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-3-ol;prop-1-ene (CID 164543501) is 1-[(2E)-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-3-ol;prop-1-ene.
What is the SMILES notation for 1-[(2E)-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-3-ol;prop-1-ene?
The canonical SMILES for 1-[(2E)-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-3-ol;prop-1-ene is C=C(C)/C=C(\C=C/C)CN1CCCC(O)C1.C=CC.
What is the InChIKey of 1-[(2E)-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-3-ol;prop-1-ene?
The InChIKey is XMIRDXMDQKKMCH-TWIAACCASA-N. The full InChI is InChI=1S/C14H23NO.C3H6/c1-4-6-13(9-12(2)3)10-15-8-5-7-14(16)11-15;1-3-2/h4,6,9,14,16H,2,5,7-8,10-11H2,1,3H3;3H,1H2,2H3/b6-4-,13-9+;.
What are the key properties of 1-[(2E)-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-3-ol;prop-1-ene?
1-[(2E)-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-3-ol;prop-1-ene has a molecular weight of 263.43 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E)-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-3-ol;prop-1-ene is sourced from PubChem (CID 164543501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).