3-fluoro-3-hepta-1,2-dien-3-ylpiperidin-4-ol

C12H20FNO — CID 175499380

IUPAC3-fluoro-3-hepta-1,2-dien-3-ylpiperidin-4-ol
SMILESC=C=C(CCCC)C1(F)CNCCC1O
InChIInChI=1S/C12H20FNO/c1-3-5-6-10(4-2)12(13)9-14-8-7-11(12)15/h11,14-15H,2-3,5-9H2,1H3
InChIKeyUZTUQHCFMGYOTD-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.95
Rot. Bonds4

About 3-fluoro-3-hepta-1,2-dien-3-ylpiperidin-4-ol

3-fluoro-3-hepta-1,2-dien-3-ylpiperidin-4-ol (PubChem CID 175499380) has the molecular formula C12H20FNO and a molecular weight of 213.30 g/mol. Its IUPAC name is 3-fluoro-3-hepta-1,2-dien-3-ylpiperidin-4-ol.

Molecular Properties

Compound Name3-fluoro-3-hepta-1,2-dien-3-ylpiperidin-4-ol
PubChem CID175499380
Molecular FormulaC12H20FNO
Molecular Weight213.30 g/mol
Exact Mass213.15
IUPAC Name3-fluoro-3-hepta-1,2-dien-3-ylpiperidin-4-ol
SMILESC=C=C(CCCC)C1(F)CNCCC1O
InChIInChI=1S/C12H20FNO/c1-3-5-6-10(4-2)12(13)9-14-8-7-11(12)15/h11,14-15H,2-3,5-9H2,1H3
InChIKeyUZTUQHCFMGYOTD-UHFFFAOYSA-N
XLogP1.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-But-3-enyl-3-fluoropiperidin-4-ol
CID 175499396
4-Piperidin-4-ylpent-4-en-2-ol
CID 169595340
(3R,4S)-3-(cyclohepten-1-yl)piperidin-4-ol
CID 11499375
(2R,4S,5S)-2-tert-butyl-5-prop-1-en-2-ylpiperidin-4-ol
CID 11550177
(2R,4S,5S)-2-propan-2-yl-5-prop-1-en-2-ylpiperidin-4-ol
CID 11579233
(3S,4S)-3-(cyclohepten-1-yl)piperidin-4-ol
CID 11708221
2-Propan-2-yl-5-prop-1-en-2-ylpiperidin-4-ol
CID 73018183
3-Hept-6-enylpiperidin-4-ol
CID 107010041
3-(2-Methylprop-2-enyl)piperidin-4-ol
CID 114451727
3-(2-Methylidenebutyl)piperidin-4-ol
CID 114451860
3-(3-Methylbut-3-enyl)piperidin-4-ol
CID 114476497
3-(Piperidin-3-ylmethyl)but-3-en-1-ol
CID 117268732

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-hepta-1,2-dien-3-ylpiperidin-4-ol?
The IUPAC name of 3-fluoro-3-hepta-1,2-dien-3-ylpiperidin-4-ol (CID 175499380) is 3-fluoro-3-hepta-1,2-dien-3-ylpiperidin-4-ol.
What is the SMILES notation for 3-fluoro-3-hepta-1,2-dien-3-ylpiperidin-4-ol?
The canonical SMILES for 3-fluoro-3-hepta-1,2-dien-3-ylpiperidin-4-ol is C=C=C(CCCC)C1(F)CNCCC1O.
What is the InChIKey of 3-fluoro-3-hepta-1,2-dien-3-ylpiperidin-4-ol?
The InChIKey is UZTUQHCFMGYOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FNO/c1-3-5-6-10(4-2)12(13)9-14-8-7-11(12)15/h11,14-15H,2-3,5-9H2,1H3.
What are the key properties of 3-fluoro-3-hepta-1,2-dien-3-ylpiperidin-4-ol?
3-fluoro-3-hepta-1,2-dien-3-ylpiperidin-4-ol has a molecular weight of 213.30 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-hepta-1,2-dien-3-ylpiperidin-4-ol is sourced from PubChem (CID 175499380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).