1-[(Z)-3-[(E)-1,4-dioxan-2-ylidenemethyl]pent-3-enyl]-4-(methoxymethyl)piperidine

C17H29NO3 — CID 143221380

IUPAC1-[(Z)-3-[(E)-1,4-dioxan-2-ylidenemethyl]pent-3-enyl]-4-(methoxymethyl)piperidine
SMILESC/C=C(\C=C1/COCCO1)CCN1CCC(COC)CC1
InChIInChI=1S/C17H29NO3/c1-3-15(12-17-14-20-10-11-21-17)4-7-18-8-5-16(6-9-18)13-19-2/h3,12,16H,4-11,13-14H2,1-2H3/b15-3-,17-12+
InChIKeyBESMFJHWIVMELD-ZESWEBAFSA-N
MW295.42 g/mol
LogP2.61
Rot. Bonds6

About 1-[(Z)-3-[(E)-1,4-dioxan-2-ylidenemethyl]pent-3-enyl]-4-(methoxymethyl)piperidine

1-[(Z)-3-[(E)-1,4-dioxan-2-ylidenemethyl]pent-3-enyl]-4-(methoxymethyl)piperidine (PubChem CID 143221380) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 1-[(Z)-3-[(E)-1,4-dioxan-2-ylidenemethyl]pent-3-enyl]-4-(methoxymethyl)piperidine.

Molecular Properties

Compound Name1-[(Z)-3-[(E)-1,4-dioxan-2-ylidenemethyl]pent-3-enyl]-4-(methoxymethyl)piperidine
PubChem CID143221380
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name1-[(Z)-3-[(E)-1,4-dioxan-2-ylidenemethyl]pent-3-enyl]-4-(methoxymethyl)piperidine
SMILESC/C=C(\C=C1/COCCO1)CCN1CCC(COC)CC1
InChIInChI=1S/C17H29NO3/c1-3-15(12-17-14-20-10-11-21-17)4-7-18-8-5-16(6-9-18)13-19-2/h3,12,16H,4-11,13-14H2,1-2H3/b15-3-,17-12+
InChIKeyBESMFJHWIVMELD-ZESWEBAFSA-N
XLogP2.61
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2E,4E,6E)-4-fluoro-8-methylnona-2,4,6-trien-3-yl]oxymethyl]-1-methylpiperidine
CID 142399915
4-[2-(6-Methoxycyclohexa-1,5-dien-1-yl)oxyethyl]-1-methylpiperidine
CID 22326850
1-[[4-[(2S,5E)-5-ethylidene-6-methylidene-1,4-dioxan-2-yl]cyclohexa-1,5-dien-1-yl]methyl]-4-propoxypiperidine
CID 88951603
1-[(3Z,5Z)-7-[(2E,4Z)-hepta-2,4-dien-3-yl]oxyocta-3,5-dienyl]-4-[4-[(1E,3Z,5E)-5-methylhepta-1,3,5-trienyl]cyclohexa-1,5-dien-1-yl]piperidine
CID 122651439
1-(3-Cyclohexa-1,5-dien-1-ylpropyl)-4-[(3-ethoxy-4-methoxycyclohexa-2,4-dien-1-yl)methyl]piperazine
CID 124023008
1-[4-[(E)-[(3E)-3-ethylidene-1,4-dioxan-2-ylidene]methyl]pent-4-enyl]piperidine
CID 129295706
1-[(4Z)-4-[(E)-2-ethoxy-3-methoxyprop-1-enyl]-2-methylhepta-4,6-dienyl]piperidine
CID 129295937
5-methoxy-3,9-dimethyl-2-[(1Z)-penta-1,4-dienyl]-1-oxa-9-azaspiro[5.5]undec-2-ene
CID 130371182
N-methyl-3-(5-methyl-2,3,4a,5-tetrahydro-1,4-benzodioxin-7-yl)-N-propylpropan-1-amine
CID 135225411
1-[(E,5E)-5-(1,4-dioxan-2-ylidene)-3-methylpent-3-enyl]-4-propylpiperidine
CID 143221331
1-[(4Z)-6-ethoxy-3-methylidenehepta-4,6-dienyl]-4-methylpiperidine
CID 156817438
4-(Cyclohexa-1,5-dien-1-yloxymethyl)-1-methylpiperidine
CID 176015690

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-3-[(E)-1,4-dioxan-2-ylidenemethyl]pent-3-enyl]-4-(methoxymethyl)piperidine?
The IUPAC name of 1-[(Z)-3-[(E)-1,4-dioxan-2-ylidenemethyl]pent-3-enyl]-4-(methoxymethyl)piperidine (CID 143221380) is 1-[(Z)-3-[(E)-1,4-dioxan-2-ylidenemethyl]pent-3-enyl]-4-(methoxymethyl)piperidine.
What is the SMILES notation for 1-[(Z)-3-[(E)-1,4-dioxan-2-ylidenemethyl]pent-3-enyl]-4-(methoxymethyl)piperidine?
The canonical SMILES for 1-[(Z)-3-[(E)-1,4-dioxan-2-ylidenemethyl]pent-3-enyl]-4-(methoxymethyl)piperidine is C/C=C(\C=C1/COCCO1)CCN1CCC(COC)CC1.
What is the InChIKey of 1-[(Z)-3-[(E)-1,4-dioxan-2-ylidenemethyl]pent-3-enyl]-4-(methoxymethyl)piperidine?
The InChIKey is BESMFJHWIVMELD-ZESWEBAFSA-N. The full InChI is InChI=1S/C17H29NO3/c1-3-15(12-17-14-20-10-11-21-17)4-7-18-8-5-16(6-9-18)13-19-2/h3,12,16H,4-11,13-14H2,1-2H3/b15-3-,17-12+.
What are the key properties of 1-[(Z)-3-[(E)-1,4-dioxan-2-ylidenemethyl]pent-3-enyl]-4-(methoxymethyl)piperidine?
1-[(Z)-3-[(E)-1,4-dioxan-2-ylidenemethyl]pent-3-enyl]-4-(methoxymethyl)piperidine has a molecular weight of 295.42 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-3-[(E)-1,4-dioxan-2-ylidenemethyl]pent-3-enyl]-4-(methoxymethyl)piperidine is sourced from PubChem (CID 143221380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).