4-[(E)-3,3-difluoroprop-1-enyl]-1-methylpiperidin-4-ol

C9H15F2NO — CID 144699610

IUPAC4-[(E)-3,3-difluoroprop-1-enyl]-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(/C=C/C(F)F)CC1
InChIInChI=1S/C9H15F2NO/c1-12-6-4-9(13,5-7-12)3-2-8(10)11/h2-3,8,13H,4-7H2,1H3/b3-2+
InChIKeyCYBUZWLFZVRLOL-NSCUHMNNSA-N
MW191.22 g/mol
LogP1.26
Rot. Bonds2

About 4-[(E)-3,3-difluoroprop-1-enyl]-1-methylpiperidin-4-ol

4-[(E)-3,3-difluoroprop-1-enyl]-1-methylpiperidin-4-ol (PubChem CID 144699610) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is 4-[(E)-3,3-difluoroprop-1-enyl]-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-[(E)-3,3-difluoroprop-1-enyl]-1-methylpiperidin-4-ol
PubChem CID144699610
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name4-[(E)-3,3-difluoroprop-1-enyl]-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(/C=C/C(F)F)CC1
InChIInChI=1S/C9H15F2NO/c1-12-6-4-9(13,5-7-12)3-2-8(10)11/h2-3,8,13H,4-7H2,1H3/b3-2+
InChIKeyCYBUZWLFZVRLOL-NSCUHMNNSA-N
XLogP1.26
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(Z)-3-hydroxy-3-methylbut-1-enyl]-1-methylpiperidin-4-ol;hydrochloride
CID 12283011
4-(3-Hydroxy-3-methyl-1-butenyl)-1-methyl-4-piperidinol
CID 12283012
(E)-4-(3,3-difluoroprop-1-enyl)piperidin-4-ol
CID 90418895
(E)-tert-butyl 4-(3,3-difluoroprop-1-enyl)-4-hydroxypiperidine-1-carboxylate
CID 90418922
(E)-4-(4,4,4-trifluorobut-1-enyl)piperidin-4-ol
CID 90447571
(E)-tert-butyl 4-hydroxy-4-(4,4,4-trifluorobut-1-enyl)piperidine-1-carboxylate
CID 90447581
1-[4-[(E)-3,3-difluoroprop-1-enyl]-4-hydroxypiperidin-1-yl]ethanone
CID 90447942
Tert-butyl 4-hydroxy-4-(4,4,4-trifluorobut-1-enyl)piperidine-1-carboxylate
CID 123144173
4-(4,4,4-Trifluorobut-1-enyl)piperidin-4-ol
CID 123163432
1-Bromo-4-(3,3-difluoroprop-1-enyl)piperidin-4-ol
CID 123918644
4-(3,3-Difluoroprop-1-enyl)piperidin-4-ol
CID 123968088
Tert-butyl 4-(3,3-difluoroprop-1-enyl)-4-hydroxypiperidine-1-carboxylate
CID 124024693

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3,3-difluoroprop-1-enyl]-1-methylpiperidin-4-ol?
The IUPAC name of 4-[(E)-3,3-difluoroprop-1-enyl]-1-methylpiperidin-4-ol (CID 144699610) is 4-[(E)-3,3-difluoroprop-1-enyl]-1-methylpiperidin-4-ol.
What is the SMILES notation for 4-[(E)-3,3-difluoroprop-1-enyl]-1-methylpiperidin-4-ol?
The canonical SMILES for 4-[(E)-3,3-difluoroprop-1-enyl]-1-methylpiperidin-4-ol is CN1CCC(O)(/C=C/C(F)F)CC1.
What is the InChIKey of 4-[(E)-3,3-difluoroprop-1-enyl]-1-methylpiperidin-4-ol?
The InChIKey is CYBUZWLFZVRLOL-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H15F2NO/c1-12-6-4-9(13,5-7-12)3-2-8(10)11/h2-3,8,13H,4-7H2,1H3/b3-2+.
What are the key properties of 4-[(E)-3,3-difluoroprop-1-enyl]-1-methylpiperidin-4-ol?
4-[(E)-3,3-difluoroprop-1-enyl]-1-methylpiperidin-4-ol has a molecular weight of 191.22 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3,3-difluoroprop-1-enyl]-1-methylpiperidin-4-ol is sourced from PubChem (CID 144699610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).