(Z)-1-(1,2-dimethyl-6-methylidenepiperidin-4-yl)-4-fluoro-3-[(Z)-prop-1-enyl]hex-3-en-2-ol

C17H28FNO — CID 143848007

IUPAC(Z)-1-(1,2-dimethyl-6-methylidenepiperidin-4-yl)-4-fluoro-3-[(Z)-prop-1-enyl]hex-3-en-2-ol
SMILESC=C1CC(CC(O)C(/C=C\C)=C(\F)CC)CC(C)N1C
InChIInChI=1S/C17H28FNO/c1-6-8-15(16(18)7-2)17(20)11-14-9-12(3)19(5)13(4)10-14/h6,8,13-14,17,20H,3,7,9-11H2,1-2,4-5H3/b8-6-,16-15-
InChIKeyCARANSQTHGSUIG-RALUNSANSA-N
MW281.42 g/mol
LogP4.19
Rot. Bonds5

About (Z)-1-(1,2-dimethyl-6-methylidenepiperidin-4-yl)-4-fluoro-3-[(Z)-prop-1-enyl]hex-3-en-2-ol

(Z)-1-(1,2-dimethyl-6-methylidenepiperidin-4-yl)-4-fluoro-3-[(Z)-prop-1-enyl]hex-3-en-2-ol (PubChem CID 143848007) has the molecular formula C17H28FNO and a molecular weight of 281.42 g/mol. Its IUPAC name is (Z)-1-(1,2-dimethyl-6-methylidenepiperidin-4-yl)-4-fluoro-3-[(Z)-prop-1-enyl]hex-3-en-2-ol.

Molecular Properties

Compound Name(Z)-1-(1,2-dimethyl-6-methylidenepiperidin-4-yl)-4-fluoro-3-[(Z)-prop-1-enyl]hex-3-en-2-ol
PubChem CID143848007
Molecular FormulaC17H28FNO
Molecular Weight281.42 g/mol
Exact Mass281.22
IUPAC Name(Z)-1-(1,2-dimethyl-6-methylidenepiperidin-4-yl)-4-fluoro-3-[(Z)-prop-1-enyl]hex-3-en-2-ol
SMILESC=C1CC(CC(O)C(/C=C\C)=C(\F)CC)CC(C)N1C
InChIInChI=1S/C17H28FNO/c1-6-8-15(16(18)7-2)17(20)11-14-9-12(3)19(5)13(4)10-14/h6,8,13-14,17,20H,3,7,9-11H2,1-2,4-5H3/b8-6-,16-15-
InChIKeyCARANSQTHGSUIG-RALUNSANSA-N
XLogP4.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

n-Propyl-6-hydroxy-octahydrobenzo(g)quinoline
CID 129668328
1-ethyl-3,4,4a,5-tetrahydro-2H-quinolin-5-ol
CID 150112405
2-[1-Cyclohexa-2,4-dien-1-yl-3-[di(propan-2-yl)amino]propyl]-4-methylcyclohexa-2,4-dien-1-ol
CID 154673155

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(1,2-dimethyl-6-methylidenepiperidin-4-yl)-4-fluoro-3-[(Z)-prop-1-enyl]hex-3-en-2-ol?
The IUPAC name of (Z)-1-(1,2-dimethyl-6-methylidenepiperidin-4-yl)-4-fluoro-3-[(Z)-prop-1-enyl]hex-3-en-2-ol (CID 143848007) is (Z)-1-(1,2-dimethyl-6-methylidenepiperidin-4-yl)-4-fluoro-3-[(Z)-prop-1-enyl]hex-3-en-2-ol.
What is the SMILES notation for (Z)-1-(1,2-dimethyl-6-methylidenepiperidin-4-yl)-4-fluoro-3-[(Z)-prop-1-enyl]hex-3-en-2-ol?
The canonical SMILES for (Z)-1-(1,2-dimethyl-6-methylidenepiperidin-4-yl)-4-fluoro-3-[(Z)-prop-1-enyl]hex-3-en-2-ol is C=C1CC(CC(O)C(/C=C\C)=C(\F)CC)CC(C)N1C.
What is the InChIKey of (Z)-1-(1,2-dimethyl-6-methylidenepiperidin-4-yl)-4-fluoro-3-[(Z)-prop-1-enyl]hex-3-en-2-ol?
The InChIKey is CARANSQTHGSUIG-RALUNSANSA-N. The full InChI is InChI=1S/C17H28FNO/c1-6-8-15(16(18)7-2)17(20)11-14-9-12(3)19(5)13(4)10-14/h6,8,13-14,17,20H,3,7,9-11H2,1-2,4-5H3/b8-6-,16-15-.
What are the key properties of (Z)-1-(1,2-dimethyl-6-methylidenepiperidin-4-yl)-4-fluoro-3-[(Z)-prop-1-enyl]hex-3-en-2-ol?
(Z)-1-(1,2-dimethyl-6-methylidenepiperidin-4-yl)-4-fluoro-3-[(Z)-prop-1-enyl]hex-3-en-2-ol has a molecular weight of 281.42 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(1,2-dimethyl-6-methylidenepiperidin-4-yl)-4-fluoro-3-[(Z)-prop-1-enyl]hex-3-en-2-ol is sourced from PubChem (CID 143848007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).