ethane;[1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol

C15H27NO — CID 178142444

IUPACethane;[1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol
SMILESC=C/C(=C\C(=C)C)N1CCC(CO)CC1.CC
InChIInChI=1S/C13H21NO.C2H6/c1-4-13(9-11(2)3)14-7-5-12(10-15)6-8-14;1-2/h4,9,12,15H,1-2,5-8,10H2,3H3;1-2H3/b13-9+;
InChIKeyOPGZOTWEPXJPBH-KJEVSKRMSA-N
MW237.39 g/mol
LogP3.36
Rot. Bonds4

About ethane;[1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol

ethane;[1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol (PubChem CID 178142444) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is ethane;[1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Nameethane;[1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol
PubChem CID178142444
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Nameethane;[1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol
SMILESC=C/C(=C\C(=C)C)N1CCC(CO)CC1.CC
InChIInChI=1S/C13H21NO.C2H6/c1-4-13(9-11(2)3)14-7-5-12(10-15)6-8-14;1-2/h4,9,12,15H,1-2,5-8,10H2,3H3;1-2H3/b13-9+;
InChIKeyOPGZOTWEPXJPBH-KJEVSKRMSA-N
XLogP3.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-Ethylpiperidin-1-yl)-3-fluorocyclohepta-1,2,4,6-tetraen-1-yl]methanol
CID 144440605
[1-(Cyclohexa-1,5-dien-1-ylmethyl)piperidin-4-yl]methanol
CID 118281619
[1-[(2E,4Z)-2-methylhepta-2,4-dienyl]piperidin-4-yl]methanol
CID 122535899
5,6-Di(ethylidene)-1-methylpiperidin-2-ol
CID 123615765
[1-[(3Z,5Z)-2-methylocta-3,5-dienyl]piperidin-4-yl]methanol
CID 142940201
2-[1-(4-Methylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]ethanol
CID 143067090
ethane;[4-methyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]piperidin-4-yl]methanol
CID 143533081
[1-[(E)-hex-3-en-3-yl]piperidin-4-yl]methanol
CID 144102280
[1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-methylpiperidin-4-yl]methanol
CID 145440061
[1-[(3E,5Z)-5-methylhepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol
CID 153547216
2-[(4Z)-4-[(Z)-but-2-enylidene]-1-methyl-5-methylidenepyrrolidin-3-yl]ethanol
CID 166944192
[1-[(1E,3Z)-1-amino-5-ethyl-6-methylhepta-1,3-dien-2-yl]piperidin-4-yl]methanol
CID 169692416

Frequently Asked Questions

What is the IUPAC name of ethane;[1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol?
The IUPAC name of ethane;[1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol (CID 178142444) is ethane;[1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol.
What is the SMILES notation for ethane;[1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol?
The canonical SMILES for ethane;[1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol is C=C/C(=C\C(=C)C)N1CCC(CO)CC1.CC.
What is the InChIKey of ethane;[1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol?
The InChIKey is OPGZOTWEPXJPBH-KJEVSKRMSA-N. The full InChI is InChI=1S/C13H21NO.C2H6/c1-4-13(9-11(2)3)14-7-5-12(10-15)6-8-14;1-2/h4,9,12,15H,1-2,5-8,10H2,3H3;1-2H3/b13-9+;.
What are the key properties of ethane;[1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol?
ethane;[1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol has a molecular weight of 237.39 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 178142444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).