ethane;4-methoxy-1-[(Z)-2-methylidenepent-3-enyl]piperidine

C14H27NO — CID 142999628

IUPACethane;4-methoxy-1-[(Z)-2-methylidenepent-3-enyl]piperidine
SMILESC=C(/C=C\C)CN1CCC(OC)CC1.CC
InChIInChI=1S/C12H21NO.C2H6/c1-4-5-11(2)10-13-8-6-12(14-3)7-9-13;1-2/h4-5,12H,2,6-10H2,1,3H3;1-2H3/b5-4-;
InChIKeyMJVWQEJYOXGIKS-MKWAYWHRSA-N
MW225.38 g/mol
LogP3.26
Rot. Bonds4

About ethane;4-methoxy-1-[(Z)-2-methylidenepent-3-enyl]piperidine

ethane;4-methoxy-1-[(Z)-2-methylidenepent-3-enyl]piperidine (PubChem CID 142999628) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is ethane;4-methoxy-1-[(Z)-2-methylidenepent-3-enyl]piperidine.

Molecular Properties

Compound Nameethane;4-methoxy-1-[(Z)-2-methylidenepent-3-enyl]piperidine
PubChem CID142999628
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Nameethane;4-methoxy-1-[(Z)-2-methylidenepent-3-enyl]piperidine
SMILESC=C(/C=C\C)CN1CCC(OC)CC1.CC
InChIInChI=1S/C12H21NO.C2H6/c1-4-5-11(2)10-13-8-6-12(14-3)7-9-13;1-2/h4-5,12H,2,6-10H2,1,3H3;1-2H3/b5-4-;
InChIKeyMJVWQEJYOXGIKS-MKWAYWHRSA-N
XLogP3.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-4-(cyclohexa-1,3-dien-1-ylmethyl)-2-ethylmorpholine
CID 117906528
1-[(E)-6-ethoxy-4-methylidenehept-5-enyl]piperidine
CID 118058189
1-Methyl-4-(7-methylcyclohepta-1,3,6-trien-1-yl)oxypiperidine
CID 139541228
4-[(3Z)-5-(methoxymethyl)hexa-1,3,5-trien-2-yl]oxy-1-methylpiperidine
CID 142009440
2-ethyl-4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]morpholine
CID 142862880
1-[(4-Chlorocyclohexa-1,5-dien-1-yl)methyl]-4-methoxypiperidine
CID 143050920
1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-ol
CID 143150891
1-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]piperidin-4-ol
CID 143718323
1-[(2S,3Z,5Z)-hepta-3,5-dien-2-yl]-4-methoxypiperidine
CID 144185950
4-methoxy-1-[(2E,4Z)-7-methylocta-2,4-dien-3-yl]piperidine
CID 144808679
1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-3-methoxypiperidine
CID 145145582
ethane;1-methyl-4-[(3Z)-2-methylidenehexa-3,5-dienoxy]piperidine
CID 145194564

Frequently Asked Questions

What is the IUPAC name of ethane;4-methoxy-1-[(Z)-2-methylidenepent-3-enyl]piperidine?
The IUPAC name of ethane;4-methoxy-1-[(Z)-2-methylidenepent-3-enyl]piperidine (CID 142999628) is ethane;4-methoxy-1-[(Z)-2-methylidenepent-3-enyl]piperidine.
What is the SMILES notation for ethane;4-methoxy-1-[(Z)-2-methylidenepent-3-enyl]piperidine?
The canonical SMILES for ethane;4-methoxy-1-[(Z)-2-methylidenepent-3-enyl]piperidine is C=C(/C=C\C)CN1CCC(OC)CC1.CC.
What is the InChIKey of ethane;4-methoxy-1-[(Z)-2-methylidenepent-3-enyl]piperidine?
The InChIKey is MJVWQEJYOXGIKS-MKWAYWHRSA-N. The full InChI is InChI=1S/C12H21NO.C2H6/c1-4-5-11(2)10-13-8-6-12(14-3)7-9-13;1-2/h4-5,12H,2,6-10H2,1,3H3;1-2H3/b5-4-;.
What are the key properties of ethane;4-methoxy-1-[(Z)-2-methylidenepent-3-enyl]piperidine?
ethane;4-methoxy-1-[(Z)-2-methylidenepent-3-enyl]piperidine has a molecular weight of 225.38 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methoxy-1-[(Z)-2-methylidenepent-3-enyl]piperidine is sourced from PubChem (CID 142999628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).