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

C15H27NO — CID 143563754

IUPACethane;[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol
SMILESC=C/C=C(\C=C/C)C1(CO)CCNCC1.CC
InChIInChI=1S/C13H21NO.C2H6/c1-3-5-12(6-4-2)13(11-15)7-9-14-10-8-13;1-2/h3-6,14-15H,1,7-11H2,2H3;1-2H3/b6-4-,12-5+;
InChIKeyCAADHFPXKWLBGZ-QRGVYOGNSA-N
MW237.39 g/mol
LogP3.06
Rot. Bonds4

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

ethane;[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol (PubChem CID 143563754) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is ethane;[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Nameethane;[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol
PubChem CID143563754
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Nameethane;[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol
SMILESC=C/C=C(\C=C/C)C1(CO)CCNCC1.CC
InChIInChI=1S/C13H21NO.C2H6/c1-3-5-12(6-4-2)13(11-15)7-9-14-10-8-13;1-2/h3-6,14-15H,1,7-11H2,2H3;1-2H3/b6-4-,12-5+;
InChIKeyCAADHFPXKWLBGZ-QRGVYOGNSA-N
XLogP3.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-Ethenylpiperidin-4-yl)methanol
CID 146049241
4-[[(1S)-cyclohex-3-en-1-yl]methylamino]-3,3-dimethylbutan-1-ol
CID 97240121
[4-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol
CID 142015032
[4-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol
CID 142015597
[(3E,4S)-3-ethylidenepiperidin-4-yl]methanol
CID 68026897
[(1R)-1-methylcyclohexa-2,4-dien-1-yl]-piperidin-4-ylmethanol
CID 70634236
(3-Ethylidenepiperidin-4-yl)methanol
CID 77395353
1-[4-[(3E,5Z)-4-(aminomethyl)hepta-1,3,5-trien-2-yl]piperidin-1-yl]-3,3-dimethylbutan-1-ol
CID 89126411
(2,3,3-Trimethyl-1,2,6,7-tetrahydroindol-6-yl)methanol
CID 89133248
[4-[(4E)-5-(aminomethyl)hepta-4,6-dienyl]piperidin-4-yl]methanol
CID 89182468
[4-Methyl-4-[2-(methylamino)ethyl]cyclohexa-1,5-dien-1-yl]methanol
CID 91242625
4-Hexa-1,3,5-trien-3-ylpiperidin-3-ol
CID 123244966

Frequently Asked Questions

What is the IUPAC name of ethane;[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol?
The IUPAC name of ethane;[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol (CID 143563754) is ethane;[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol.
What is the SMILES notation for ethane;[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol?
The canonical SMILES for ethane;[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol is C=C/C=C(\C=C/C)C1(CO)CCNCC1.CC.
What is the InChIKey of ethane;[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol?
The InChIKey is CAADHFPXKWLBGZ-QRGVYOGNSA-N. The full InChI is InChI=1S/C13H21NO.C2H6/c1-3-5-12(6-4-2)13(11-15)7-9-14-10-8-13;1-2/h3-6,14-15H,1,7-11H2,2H3;1-2H3/b6-4-,12-5+;.
What are the key properties of ethane;[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol?
ethane;[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol has a molecular weight of 237.39 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 143563754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).