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

C12H18FNO — CID 142015597

IUPAC[4-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol
SMILESC=C/C(F)=C(\C=C)C1(CO)CCNCC1
InChIInChI=1S/C12H18FNO/c1-3-10(11(13)4-2)12(9-15)5-7-14-8-6-12/h3-4,14-15H,1-2,5-9H2/b11-10-
InChIKeyWHRNPXAEYGMISJ-KHPPLWFESA-N
MW211.28 g/mol
LogP1.94
Rot. Bonds4

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

[4-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol (PubChem CID 142015597) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is [4-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol
PubChem CID142015597
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name[4-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol
SMILESC=C/C(F)=C(\C=C)C1(CO)CCNCC1
InChIInChI=1S/C12H18FNO/c1-3-10(11(13)4-2)12(9-15)5-7-14-8-6-12/h3-4,14-15H,1-2,5-9H2/b11-10-
InChIKeyWHRNPXAEYGMISJ-KHPPLWFESA-N
XLogP1.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [4-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol with MolForge

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Related Compounds

(4-Ethenylpiperidin-4-yl)methanol
CID 146049241
[4-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol
CID 142015032
4-Hexa-1,3,5-trien-3-ylpiperidin-3-ol
CID 123244966
ethane;[4-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol
CID 142015031
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
ethane;[4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol
CID 143618658
[1-[2-(Methylamino)ethyl]cyclohexa-2,4-dien-1-yl]methanol
CID 171060547
[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 [4-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol?
The IUPAC name of [4-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol (CID 142015597) is [4-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [4-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol?
The canonical SMILES for [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.
What is the InChIKey of [4-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol?
The InChIKey is WHRNPXAEYGMISJ-KHPPLWFESA-N. The full InChI is InChI=1S/C12H18FNO/c1-3-10(11(13)4-2)12(9-15)5-7-14-8-6-12/h3-4,14-15H,1-2,5-9H2/b11-10-.
What are the key properties of [4-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol?
[4-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol has a molecular weight of 211.28 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 142015597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).