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

C14H24FNO — CID 142015596

IUPACethane;[4-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol
SMILESC=C/C(F)=C(\C=C)C1(CO)CCNCC1.CC
InChIInChI=1S/C12H18FNO.C2H6/c1-3-10(11(13)4-2)12(9-15)5-7-14-8-6-12;1-2/h3-4,14-15H,1-2,5-9H2;1-2H3/b11-10-;
InChIKeyGUSGRVJGCLRVHU-GMFCBQQYSA-N
MW241.35 g/mol
LogP2.97
Rot. Bonds4

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

ethane;[4-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol (PubChem CID 142015596) has the molecular formula C14H24FNO and a molecular weight of 241.35 g/mol. Its IUPAC name is ethane;[4-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Nameethane;[4-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol
PubChem CID142015596
Molecular FormulaC14H24FNO
Molecular Weight241.35 g/mol
Exact Mass241.18
IUPAC Nameethane;[4-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol
SMILESC=C/C(F)=C(\C=C)C1(CO)CCNCC1.CC
InChIInChI=1S/C12H18FNO.C2H6/c1-3-10(11(13)4-2)12(9-15)5-7-14-8-6-12;1-2/h3-4,14-15H,1-2,5-9H2;1-2H3/b11-10-;
InChIKeyGUSGRVJGCLRVHU-GMFCBQQYSA-N
XLogP2.97
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.35
LogP ≤ 52.97
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-[(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
ethane;(3S,4S)-4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]piperidin-3-ol
CID 141884083
ethane;[4-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol
CID 142015031
ethane;[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol
CID 143563754
ethane;[4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol
CID 143618658
(3R)-4-[(3Z,5Z)-6-methylocta-1,3,5,7-tetraen-2-yl]piperidin-3-ol
CID 155107795
[1-[2-(Methylamino)ethyl]cyclohexa-2,4-dien-1-yl]methanol
CID 171060547
(3S,4S)-4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]piperidin-3-ol
CID 141884084
[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol
CID 143563755
[4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol
CID 143618659

Frequently Asked Questions

What is the IUPAC name of ethane;[4-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol?
The IUPAC name of ethane;[4-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol (CID 142015596) is ethane;[4-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol.
What is the SMILES notation for ethane;[4-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol?
The canonical SMILES for ethane;[4-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol is C=C/C(F)=C(\C=C)C1(CO)CCNCC1.CC.
What is the InChIKey of ethane;[4-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol?
The InChIKey is GUSGRVJGCLRVHU-GMFCBQQYSA-N. The full InChI is InChI=1S/C12H18FNO.C2H6/c1-3-10(11(13)4-2)12(9-15)5-7-14-8-6-12;1-2/h3-4,14-15H,1-2,5-9H2;1-2H3/b11-10-;.
What are the key properties of ethane;[4-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol?
ethane;[4-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol has a molecular weight of 241.35 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[4-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 142015596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).