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

C15H26FNO — CID 142015031

IUPACethane;[4-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol
SMILESC=C/C(F)=C(\C=C/C)C1(CO)CCNCC1.CC
InChIInChI=1S/C13H20FNO.C2H6/c1-3-5-11(12(14)4-2)13(10-16)6-8-15-9-7-13;1-2/h3-5,15-16H,2,6-10H2,1H3;1-2H3/b5-3-,12-11-;
InChIKeyMYLACJURAAIBJY-SGOBWQGDSA-N
MW255.38 g/mol
LogP3.36
Rot. Bonds4

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

ethane;[4-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol (PubChem CID 142015031) has the molecular formula C15H26FNO and a molecular weight of 255.38 g/mol. Its IUPAC name is ethane;[4-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Nameethane;[4-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol
PubChem CID142015031
Molecular FormulaC15H26FNO
Molecular Weight255.38 g/mol
Exact Mass255.20
IUPAC Nameethane;[4-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol
SMILESC=C/C(F)=C(\C=C/C)C1(CO)CCNCC1.CC
InChIInChI=1S/C13H20FNO.C2H6/c1-3-5-11(12(14)4-2)13(10-16)6-8-15-9-7-13;1-2/h3-5,15-16H,2,6-10H2,1H3;1-2H3/b5-3-,12-11-;
InChIKeyMYLACJURAAIBJY-SGOBWQGDSA-N
XLogP3.36
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 53.36
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

(3,3-Difluoro-4-prop-1-en-2-ylpiperidin-4-yl)methanol
CID 170402521
[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
[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
1-(4-Cyclohexa-1,3-dien-1-ylpiperidin-4-yl)ethanol
CID 134375505
ethane;(3S,4S)-4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]piperidin-3-ol
CID 141884083
ethane;[4-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol
CID 142015596
ethane;[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol
CID 143563754

Frequently Asked Questions

What is the IUPAC name of ethane;[4-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol?
The IUPAC name of ethane;[4-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol (CID 142015031) is ethane;[4-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol.
What is the SMILES notation for ethane;[4-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol?
The canonical SMILES for ethane;[4-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol is C=C/C(F)=C(\C=C/C)C1(CO)CCNCC1.CC.
What is the InChIKey of ethane;[4-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol?
The InChIKey is MYLACJURAAIBJY-SGOBWQGDSA-N. The full InChI is InChI=1S/C13H20FNO.C2H6/c1-3-5-11(12(14)4-2)13(10-16)6-8-15-9-7-13;1-2/h3-5,15-16H,2,6-10H2,1H3;1-2H3/b5-3-,12-11-;.
What are the key properties of ethane;[4-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol?
ethane;[4-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol has a molecular weight of 255.38 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[4-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 142015031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).