ethane;4-[(5Z)-hepta-1,3,5-trien-4-yl]-4-methoxy-1-methylpiperidine

C16H29NO — CID 144662795

IUPACethane;4-[(5Z)-hepta-1,3,5-trien-4-yl]-4-methoxy-1-methylpiperidine
SMILESC=CC=C(/C=C\C)C1(OC)CCN(C)CC1.CC
InChIInChI=1S/C14H23NO.C2H6/c1-5-7-13(8-6-2)14(16-4)9-11-15(3)12-10-14;1-2/h5-8H,1,9-12H2,2-4H3;1-2H3/b8-6-,13-7?;
InChIKeyNSSGIQDJSZGHDL-OBJZRIHUSA-N
MW251.41 g/mol
LogP3.81
Rot. Bonds4

About ethane;4-[(5Z)-hepta-1,3,5-trien-4-yl]-4-methoxy-1-methylpiperidine

ethane;4-[(5Z)-hepta-1,3,5-trien-4-yl]-4-methoxy-1-methylpiperidine (PubChem CID 144662795) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is ethane;4-[(5Z)-hepta-1,3,5-trien-4-yl]-4-methoxy-1-methylpiperidine.

Molecular Properties

Compound Nameethane;4-[(5Z)-hepta-1,3,5-trien-4-yl]-4-methoxy-1-methylpiperidine
PubChem CID144662795
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Nameethane;4-[(5Z)-hepta-1,3,5-trien-4-yl]-4-methoxy-1-methylpiperidine
SMILESC=CC=C(/C=C\C)C1(OC)CCN(C)CC1.CC
InChIInChI=1S/C14H23NO.C2H6/c1-5-7-13(8-6-2)14(16-4)9-11-15(3)12-10-14;1-2/h5-8H,1,9-12H2,2-4H3;1-2H3/b8-6-,13-7?;
InChIKeyNSSGIQDJSZGHDL-OBJZRIHUSA-N
XLogP3.81
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.81
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

4-[(6-Fluorocyclohexa-1,5-dien-1-yl)methoxy]-1,4-dimethylpiperidine
CID 144279161
(4E,6E)-N-ethyl-7-fluoro-3-methoxy-N,3-dimethyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-1-amine
CID 144635931
4-(4-Fluorocyclohepta-1,3,5-trien-1-yl)-4-methoxy-1-methylpiperidine
CID 144635932
9-Methyl-1-oxa-9-azaspiro[5.5]undec-3-ene
CID 21050545
N-ethyl-4-(4-hepta-2,4,6-trien-2-yl-1-methylpiperidin-4-yl)oxy-N,4-dimethylpentan-2-amine
CID 90970266
8-ethyl-2-methyl-3,4-bis[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene
CID 130220142
8-tert-butyl-3,4-bis[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene
CID 130220365
4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpiperidin-4-ol
CID 134365800
1-(2-methoxy-3H-naphthalen-2-yl)piperidine
CID 139641402
ethane;4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-methylpiperidin-4-ol
CID 141848831
ethane;4-[(3E,6E)-4-ethenyl-6-[(Z)-prop-1-enyl]nona-1,3,6,8-tetraen-5-yl]oxy-1-methylpiperidine;prop-1-ene
CID 142087458
4-[(3E,6E)-4,6-bis[(Z)-prop-1-enyl]nona-1,3,6,8-tetraen-5-yl]oxy-1-methylpiperidine;ethane
CID 142087467

Frequently Asked Questions

What is the IUPAC name of ethane;4-[(5Z)-hepta-1,3,5-trien-4-yl]-4-methoxy-1-methylpiperidine?
The IUPAC name of ethane;4-[(5Z)-hepta-1,3,5-trien-4-yl]-4-methoxy-1-methylpiperidine (CID 144662795) is ethane;4-[(5Z)-hepta-1,3,5-trien-4-yl]-4-methoxy-1-methylpiperidine.
What is the SMILES notation for ethane;4-[(5Z)-hepta-1,3,5-trien-4-yl]-4-methoxy-1-methylpiperidine?
The canonical SMILES for ethane;4-[(5Z)-hepta-1,3,5-trien-4-yl]-4-methoxy-1-methylpiperidine is C=CC=C(/C=C\C)C1(OC)CCN(C)CC1.CC.
What is the InChIKey of ethane;4-[(5Z)-hepta-1,3,5-trien-4-yl]-4-methoxy-1-methylpiperidine?
The InChIKey is NSSGIQDJSZGHDL-OBJZRIHUSA-N. The full InChI is InChI=1S/C14H23NO.C2H6/c1-5-7-13(8-6-2)14(16-4)9-11-15(3)12-10-14;1-2/h5-8H,1,9-12H2,2-4H3;1-2H3/b8-6-,13-7?;.
What are the key properties of ethane;4-[(5Z)-hepta-1,3,5-trien-4-yl]-4-methoxy-1-methylpiperidine?
ethane;4-[(5Z)-hepta-1,3,5-trien-4-yl]-4-methoxy-1-methylpiperidine has a molecular weight of 251.41 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[(5Z)-hepta-1,3,5-trien-4-yl]-4-methoxy-1-methylpiperidine is sourced from PubChem (CID 144662795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).