ethane;4-[(2Z,4Z)-3-methoxyhepta-2,4,6-trien-2-yl]piperidine

C15H27NO — CID 143276794

IUPACethane;4-[(2Z,4Z)-3-methoxyhepta-2,4,6-trien-2-yl]piperidine
SMILESC=C/C=C\C(OC)=C(/C)C1CCNCC1.CC
InChIInChI=1S/C13H21NO.C2H6/c1-4-5-6-13(15-3)11(2)12-7-9-14-10-8-12;1-2/h4-6,12,14H,1,7-10H2,2-3H3;1-2H3/b6-5-,13-11-;
InChIKeyRVCFUOHAZQCVIM-DYNKCOKFSA-N
MW237.39 g/mol
LogP3.67
Rot. Bonds4

About ethane;4-[(2Z,4Z)-3-methoxyhepta-2,4,6-trien-2-yl]piperidine

ethane;4-[(2Z,4Z)-3-methoxyhepta-2,4,6-trien-2-yl]piperidine (PubChem CID 143276794) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is ethane;4-[(2Z,4Z)-3-methoxyhepta-2,4,6-trien-2-yl]piperidine.

Molecular Properties

Compound Nameethane;4-[(2Z,4Z)-3-methoxyhepta-2,4,6-trien-2-yl]piperidine
PubChem CID143276794
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Nameethane;4-[(2Z,4Z)-3-methoxyhepta-2,4,6-trien-2-yl]piperidine
SMILESC=C/C=C\C(OC)=C(/C)C1CCNCC1.CC
InChIInChI=1S/C13H21NO.C2H6/c1-4-5-6-13(15-3)11(2)12-7-9-14-10-8-12;1-2/h4-6,12,14H,1,7-10H2,2-3H3;1-2H3/b6-5-,13-11-;
InChIKeyRVCFUOHAZQCVIM-DYNKCOKFSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-[(2E,4E)-4,6-difluorohepta-2,4,6-trien-2-yl]-4-methoxypiperidine
CID 143792353
4-(3-Fluoro-2-methoxycyclohexa-1,3-dien-1-yl)piperidine
CID 144378250
Carbanide;3-[2-methoxy-4-(trifluoromethyl)benzene-5-id-1-yl]piperidine;yttrium
CID 166108118
carbanide;(3S)-3-[2-methoxy-4-(trifluoromethyl)benzene-5-id-1-yl]piperidine;yttrium
CID 166108122
5-(4-Fluoropiperidin-4-yl)-7-methoxycyclohepta-1,4,6-triene-1-carbonitrile
CID 167237486
6,7-Dimethoxy-1,2,3,4,4a,8a-hexahydroisoquinoline
CID 44249266
4-(5-Cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)piperidine
CID 67620970
N-[2-(4-methoxycyclohexa-2,4-dien-1-yl)ethyl]acetamide
CID 68027848
4-(5-Methylcyclohepta-1,3,6-trien-1-yl)oxypiperidine
CID 70917166
2-(1-iodo-4-methoxycyclohexa-2,4-dien-1-yl)-N-methylethanamine
CID 71015130
Spiro[isochromene-3,4'-piperidine]
CID 87563605
4-[(2E,4E)-5-methoxyhepta-2,4,6-trien-2-yl]piperidine
CID 88308841

Frequently Asked Questions

What is the IUPAC name of ethane;4-[(2Z,4Z)-3-methoxyhepta-2,4,6-trien-2-yl]piperidine?
The IUPAC name of ethane;4-[(2Z,4Z)-3-methoxyhepta-2,4,6-trien-2-yl]piperidine (CID 143276794) is ethane;4-[(2Z,4Z)-3-methoxyhepta-2,4,6-trien-2-yl]piperidine.
What is the SMILES notation for ethane;4-[(2Z,4Z)-3-methoxyhepta-2,4,6-trien-2-yl]piperidine?
The canonical SMILES for ethane;4-[(2Z,4Z)-3-methoxyhepta-2,4,6-trien-2-yl]piperidine is C=C/C=C\C(OC)=C(/C)C1CCNCC1.CC.
What is the InChIKey of ethane;4-[(2Z,4Z)-3-methoxyhepta-2,4,6-trien-2-yl]piperidine?
The InChIKey is RVCFUOHAZQCVIM-DYNKCOKFSA-N. The full InChI is InChI=1S/C13H21NO.C2H6/c1-4-5-6-13(15-3)11(2)12-7-9-14-10-8-12;1-2/h4-6,12,14H,1,7-10H2,2-3H3;1-2H3/b6-5-,13-11-;.
What are the key properties of ethane;4-[(2Z,4Z)-3-methoxyhepta-2,4,6-trien-2-yl]piperidine?
ethane;4-[(2Z,4Z)-3-methoxyhepta-2,4,6-trien-2-yl]piperidine has a molecular weight of 237.39 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[(2Z,4Z)-3-methoxyhepta-2,4,6-trien-2-yl]piperidine is sourced from PubChem (CID 143276794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).