ethane;4-methoxy-1-methyl-4-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]piperidine

C17H31NO — CID 142861523

IUPACethane;4-methoxy-1-methyl-4-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]piperidine
SMILESC=C/C=C\C(=C(C)C)C1(OC)CCN(C)CC1.CC
InChIInChI=1S/C15H25NO.C2H6/c1-6-7-8-14(13(2)3)15(17-5)9-11-16(4)12-10-15;1-2/h6-8H,1,9-12H2,2-5H3;1-2H3/b8-7-;
InChIKeyOAHRYEPWRNBDHD-CFYXSCKTSA-N
MW265.44 g/mol
LogP4.20
Rot. Bonds4

About ethane;4-methoxy-1-methyl-4-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]piperidine

ethane;4-methoxy-1-methyl-4-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]piperidine (PubChem CID 142861523) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is ethane;4-methoxy-1-methyl-4-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]piperidine.

Molecular Properties

Compound Nameethane;4-methoxy-1-methyl-4-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]piperidine
PubChem CID142861523
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Nameethane;4-methoxy-1-methyl-4-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]piperidine
SMILESC=C/C=C\C(=C(C)C)C1(OC)CCN(C)CC1.CC
InChIInChI=1S/C15H25NO.C2H6/c1-6-7-8-14(13(2)3)15(17-5)9-11-16(4)12-10-15;1-2/h6-8H,1,9-12H2,2-5H3;1-2H3/b8-7-;
InChIKeyOAHRYEPWRNBDHD-CFYXSCKTSA-N
XLogP4.20
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.20
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-methoxy-1-methyl-4-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]piperidine?
The IUPAC name of ethane;4-methoxy-1-methyl-4-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]piperidine (CID 142861523) is ethane;4-methoxy-1-methyl-4-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]piperidine.
What is the SMILES notation for ethane;4-methoxy-1-methyl-4-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]piperidine?
The canonical SMILES for ethane;4-methoxy-1-methyl-4-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]piperidine is C=C/C=C\C(=C(C)C)C1(OC)CCN(C)CC1.CC.
What is the InChIKey of ethane;4-methoxy-1-methyl-4-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]piperidine?
The InChIKey is OAHRYEPWRNBDHD-CFYXSCKTSA-N. The full InChI is InChI=1S/C15H25NO.C2H6/c1-6-7-8-14(13(2)3)15(17-5)9-11-16(4)12-10-15;1-2/h6-8H,1,9-12H2,2-5H3;1-2H3/b8-7-;.
What are the key properties of ethane;4-methoxy-1-methyl-4-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]piperidine?
ethane;4-methoxy-1-methyl-4-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]piperidine has a molecular weight of 265.44 g/mol, XLogP of 4.20, 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-methyl-4-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]piperidine is sourced from PubChem (CID 142861523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).