4-[(3Z)-4-methoxyhexa-1,3,5-trien-3-yl]piperidine

C12H19NO — CID 143617058

IUPAC4-[(3Z)-4-methoxyhexa-1,3,5-trien-3-yl]piperidine
SMILESC=C/C(OC)=C(\C=C)C1CCNCC1
InChIInChI=1S/C12H19NO/c1-4-11(12(5-2)14-3)10-6-8-13-9-7-10/h4-5,10,13H,1-2,6-9H2,3H3/b12-11-
InChIKeyNWMIQQPTBHSHIX-QXMHVHEDSA-N
MW193.29 g/mol
LogP2.26
Rot. Bonds4

About 4-[(3Z)-4-methoxyhexa-1,3,5-trien-3-yl]piperidine

4-[(3Z)-4-methoxyhexa-1,3,5-trien-3-yl]piperidine (PubChem CID 143617058) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-[(3Z)-4-methoxyhexa-1,3,5-trien-3-yl]piperidine.

Molecular Properties

Compound Name4-[(3Z)-4-methoxyhexa-1,3,5-trien-3-yl]piperidine
PubChem CID143617058
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4-[(3Z)-4-methoxyhexa-1,3,5-trien-3-yl]piperidine
SMILESC=C/C(OC)=C(\C=C)C1CCNCC1
InChIInChI=1S/C12H19NO/c1-4-11(12(5-2)14-3)10-6-8-13-9-7-10/h4-5,10,13H,1-2,6-9H2,3H3/b12-11-
InChIKeyNWMIQQPTBHSHIX-QXMHVHEDSA-N
XLogP2.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.26
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-(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
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
4-[(2E,4E)-5-methoxyhepta-2,4,6-trien-2-yl]piperidine
CID 88308841
6-Ethyl-7-methoxy-1,2,3,4,4a,8a-hexahydroisoquinoline
CID 89109781
4-Methoxy-3-piperidin-4-yl-1,2-dihydropyridine
CID 118610283
5-Methoxy-6-piperidin-4-yl-1,2-dihydropyridine
CID 118610408
3,4-Bis(ethenyl)-2-oxa-8-azaspiro[4.5]dec-3-ene
CID 123188135
3-(5-Methoxycyclohepta-1,4,6-trien-1-yl)pyrrolidine
CID 129210426
3-[(2E,4E)-5-methoxyhepta-2,4,6-trien-2-yl]pyrrolidine
CID 129210430

Frequently Asked Questions

What is the IUPAC name of 4-[(3Z)-4-methoxyhexa-1,3,5-trien-3-yl]piperidine?
The IUPAC name of 4-[(3Z)-4-methoxyhexa-1,3,5-trien-3-yl]piperidine (CID 143617058) is 4-[(3Z)-4-methoxyhexa-1,3,5-trien-3-yl]piperidine.
What is the SMILES notation for 4-[(3Z)-4-methoxyhexa-1,3,5-trien-3-yl]piperidine?
The canonical SMILES for 4-[(3Z)-4-methoxyhexa-1,3,5-trien-3-yl]piperidine is C=C/C(OC)=C(\C=C)C1CCNCC1.
What is the InChIKey of 4-[(3Z)-4-methoxyhexa-1,3,5-trien-3-yl]piperidine?
The InChIKey is NWMIQQPTBHSHIX-QXMHVHEDSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-11(12(5-2)14-3)10-6-8-13-9-7-10/h4-5,10,13H,1-2,6-9H2,3H3/b12-11-.
What are the key properties of 4-[(3Z)-4-methoxyhexa-1,3,5-trien-3-yl]piperidine?
4-[(3Z)-4-methoxyhexa-1,3,5-trien-3-yl]piperidine has a molecular weight of 193.29 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3Z)-4-methoxyhexa-1,3,5-trien-3-yl]piperidine is sourced from PubChem (CID 143617058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).