4-[(3Z)-2-methoxyhexa-1,3,5-trien-3-yl]-1-methylpiperidine

C13H21NO — CID 143689649

IUPAC4-[(3Z)-2-methoxyhexa-1,3,5-trien-3-yl]-1-methylpiperidine
SMILESC=C/C=C(\C(=C)OC)C1CCN(C)CC1
InChIInChI=1S/C13H21NO/c1-5-6-13(11(2)15-4)12-7-9-14(3)10-8-12/h5-6,12H,1-2,7-10H2,3-4H3/b13-6+
InChIKeyCZRRSCSHBSOTSJ-AWNIVKPZSA-N
MW207.32 g/mol
LogP2.60
Rot. Bonds4

About 4-[(3Z)-2-methoxyhexa-1,3,5-trien-3-yl]-1-methylpiperidine

4-[(3Z)-2-methoxyhexa-1,3,5-trien-3-yl]-1-methylpiperidine (PubChem CID 143689649) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-[(3Z)-2-methoxyhexa-1,3,5-trien-3-yl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[(3Z)-2-methoxyhexa-1,3,5-trien-3-yl]-1-methylpiperidine
PubChem CID143689649
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-[(3Z)-2-methoxyhexa-1,3,5-trien-3-yl]-1-methylpiperidine
SMILESC=C/C=C(\C(=C)OC)C1CCN(C)CC1
InChIInChI=1S/C13H21NO/c1-5-6-13(11(2)15-4)12-7-9-14(3)10-8-12/h5-6,12H,1-2,7-10H2,3-4H3/b13-6+
InChIKeyCZRRSCSHBSOTSJ-AWNIVKPZSA-N
XLogP2.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.60
H-Bond Donors ≤ 50
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

Ethoxy-2-methyl-tetrahydroisoquinoline
CID 129729980
6-hydroxy-7-methoxy-N-methyl tetrahydroisoquinoline
CID 129820601
4-[2-(6-Methoxycyclohexa-1,5-dien-1-yl)oxyethyl]-1-methylpiperidine
CID 22326850
6-methoxy-2-pentyl-3,4,4a,5-tetrahydro-1H-isoquinoline
CID 68537925
6,7-dimethoxy-2-methyl-3,4,4a,5-tetrahydro-1H-isoquinoline
CID 70547939
4-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-1-(methoxymethyl)piperidine
CID 143576542
(3Z)-3-(1-methylpiperidin-4-yl)hexa-1,3,5-trien-2-ol
CID 143689641
(3E,4Z)-1-ethyl-4-ethylidene-3-(2-methoxyprop-2-enylidene)piperidine
CID 143866535
(4Z)-4-[(Z)-2,3-dimethoxybut-2-enylidene]-3-ethenyl-1-methylpiperidine;ethane
CID 143866566
4-[(1E,3E,5Z)-4-methoxyhepta-1,3,5-trienyl]-1-methylpiperidine
CID 144151476
ethane;4-[(3E)-hexa-1,3,5-trien-3-yl]-4-methoxy-1-methylpiperidine
CID 144802236
(5Z)-7-methoxy-N,N,3-trimethyl-4-methylideneocta-5,7-dien-1-amine
CID 156728076

Frequently Asked Questions

What is the IUPAC name of 4-[(3Z)-2-methoxyhexa-1,3,5-trien-3-yl]-1-methylpiperidine?
The IUPAC name of 4-[(3Z)-2-methoxyhexa-1,3,5-trien-3-yl]-1-methylpiperidine (CID 143689649) is 4-[(3Z)-2-methoxyhexa-1,3,5-trien-3-yl]-1-methylpiperidine.
What is the SMILES notation for 4-[(3Z)-2-methoxyhexa-1,3,5-trien-3-yl]-1-methylpiperidine?
The canonical SMILES for 4-[(3Z)-2-methoxyhexa-1,3,5-trien-3-yl]-1-methylpiperidine is C=C/C=C(\C(=C)OC)C1CCN(C)CC1.
What is the InChIKey of 4-[(3Z)-2-methoxyhexa-1,3,5-trien-3-yl]-1-methylpiperidine?
The InChIKey is CZRRSCSHBSOTSJ-AWNIVKPZSA-N. The full InChI is InChI=1S/C13H21NO/c1-5-6-13(11(2)15-4)12-7-9-14(3)10-8-12/h5-6,12H,1-2,7-10H2,3-4H3/b13-6+.
What are the key properties of 4-[(3Z)-2-methoxyhexa-1,3,5-trien-3-yl]-1-methylpiperidine?
4-[(3Z)-2-methoxyhexa-1,3,5-trien-3-yl]-1-methylpiperidine has a molecular weight of 207.32 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3Z)-2-methoxyhexa-1,3,5-trien-3-yl]-1-methylpiperidine is sourced from PubChem (CID 143689649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).