(3S)-3-[(1R)-1-(6-fluorocyclohepta-1,3,6-trien-1-yl)pentyl]-1-prop-1-en-2-ylpiperidine

C20H30FN — CID 143486913

IUPAC(3S)-3-[(1R)-1-(6-fluorocyclohepta-1,3,6-trien-1-yl)pentyl]-1-prop-1-en-2-ylpiperidine
SMILESC=C(C)N1CCC[C@@H]([C@@H](CCCC)C2=CC=CCC(F)=C2)C1
InChIInChI=1S/C20H30FN/c1-4-5-12-20(17-9-6-7-11-19(21)14-17)18-10-8-13-22(15-18)16(2)3/h6-7,9,14,18,20H,2,4-5,8,10-13,15H2,1,3H3/t18-,20+/m1/s1
InChIKeyCYONAVOQWPWUHI-QUCCMNQESA-N
MW303.47 g/mol
LogP5.78
Rot. Bonds6

About (3S)-3-[(1R)-1-(6-fluorocyclohepta-1,3,6-trien-1-yl)pentyl]-1-prop-1-en-2-ylpiperidine

(3S)-3-[(1R)-1-(6-fluorocyclohepta-1,3,6-trien-1-yl)pentyl]-1-prop-1-en-2-ylpiperidine (PubChem CID 143486913) has the molecular formula C20H30FN and a molecular weight of 303.47 g/mol. Its IUPAC name is (3S)-3-[(1R)-1-(6-fluorocyclohepta-1,3,6-trien-1-yl)pentyl]-1-prop-1-en-2-ylpiperidine.

Molecular Properties

Compound Name(3S)-3-[(1R)-1-(6-fluorocyclohepta-1,3,6-trien-1-yl)pentyl]-1-prop-1-en-2-ylpiperidine
PubChem CID143486913
Molecular FormulaC20H30FN
Molecular Weight303.47 g/mol
Exact Mass303.24
IUPAC Name(3S)-3-[(1R)-1-(6-fluorocyclohepta-1,3,6-trien-1-yl)pentyl]-1-prop-1-en-2-ylpiperidine
SMILESC=C(C)N1CCC[C@@H]([C@@H](CCCC)C2=CC=CCC(F)=C2)C1
InChIInChI=1S/C20H30FN/c1-4-5-12-20(17-9-6-7-11-19(21)14-17)18-10-8-13-22(15-18)16(2)3/h6-7,9,14,18,20H,2,4-5,8,10-13,15H2,1,3H3/t18-,20+/m1/s1
InChIKeyCYONAVOQWPWUHI-QUCCMNQESA-N
XLogP5.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.47
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3S)-3-[(1R)-1-(6-fluorocyclohepta-1,3,6-trien-1-yl)pentyl]-1-prop-1-en-2-ylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-fluoro-2,3,4,4a,4b,5,6,8-octahydro-1H-naphtho[2,1-a]quinolizine
CID 88136561
11-fluoro-2,3,4,4a,4b,5,6,8-octahydro-1H-naphtho[2,1-a]quinolizine
CID 88137705
3-[(1E,3Z,5Z)-3-(1-fluoroethyl)hepta-1,3,5-trienyl]-8-methyl-8-azabicyclo[3.2.1]octane
CID 89022338
N,N-diethyl-4-[2-(2-fluorocyclohex-3-en-1-yl)ethyl]cyclohexen-1-amine
CID 89985331
1-[4-[2-(6-Fluorocyclohexa-2,4-dien-1-yl)ethyl]cyclohexen-1-yl]-4-methylpiperazine
CID 89985335
N-[(2-butyl-2-ethenyl-4-ethyl-5-fluoro-4-methylcycloheptyl)methyl]-8-ethyl-N-methylbicyclo[3.2.2]nona-1(7),5(9),6-trien-6-amine
CID 123489149
N-[3-ethenyl-2-(3-fluoropentyl)-3-propylheptyl]-4-ethyl-N,3,5-trimethylcyclohexa-1,2,5-trien-1-amine
CID 123490671
3-[(2,6-Difluoro-6-methylcyclohexa-2,4-dien-1-yl)methyl]-1-methylpiperidine
CID 123685991
1-Buta-1,3-dien-2-yl-4-(6-fluorohexa-3,5-dienyl)piperidine
CID 123697465
N-[2-(4-fluoro-9,9-dimethylcyclononen-1-yl)ethyl]-N,3,5,5,6-pentamethyl-4-(3,7,8-trimethylnonan-2-yl)cyclohexa-1,3-dien-1-amine
CID 124035592
(3Z)-3-ethyl-N-[(2E,4Z)-5-[(E)-3-fluorobut-2-en-2-yl]nona-2,4-dienyl]-N,4,5-trimethyldeca-1,3-dien-2-amine
CID 130243094
(3Z,6Z)-N-ethyl-4-fluoro-6-methyl-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]-3-[(6-methylcyclohexa-2,4-dien-1-yl)methyl]-5-methylideneocta-1,3,6-trien-2-amine
CID 132123933

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(1R)-1-(6-fluorocyclohepta-1,3,6-trien-1-yl)pentyl]-1-prop-1-en-2-ylpiperidine?
The IUPAC name of (3S)-3-[(1R)-1-(6-fluorocyclohepta-1,3,6-trien-1-yl)pentyl]-1-prop-1-en-2-ylpiperidine (CID 143486913) is (3S)-3-[(1R)-1-(6-fluorocyclohepta-1,3,6-trien-1-yl)pentyl]-1-prop-1-en-2-ylpiperidine.
What is the SMILES notation for (3S)-3-[(1R)-1-(6-fluorocyclohepta-1,3,6-trien-1-yl)pentyl]-1-prop-1-en-2-ylpiperidine?
The canonical SMILES for (3S)-3-[(1R)-1-(6-fluorocyclohepta-1,3,6-trien-1-yl)pentyl]-1-prop-1-en-2-ylpiperidine is C=C(C)N1CCC[C@@H]([C@@H](CCCC)C2=CC=CCC(F)=C2)C1.
What is the InChIKey of (3S)-3-[(1R)-1-(6-fluorocyclohepta-1,3,6-trien-1-yl)pentyl]-1-prop-1-en-2-ylpiperidine?
The InChIKey is CYONAVOQWPWUHI-QUCCMNQESA-N. The full InChI is InChI=1S/C20H30FN/c1-4-5-12-20(17-9-6-7-11-19(21)14-17)18-10-8-13-22(15-18)16(2)3/h6-7,9,14,18,20H,2,4-5,8,10-13,15H2,1,3H3/t18-,20+/m1/s1.
What are the key properties of (3S)-3-[(1R)-1-(6-fluorocyclohepta-1,3,6-trien-1-yl)pentyl]-1-prop-1-en-2-ylpiperidine?
(3S)-3-[(1R)-1-(6-fluorocyclohepta-1,3,6-trien-1-yl)pentyl]-1-prop-1-en-2-ylpiperidine has a molecular weight of 303.47 g/mol, XLogP of 5.78, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(1R)-1-(6-fluorocyclohepta-1,3,6-trien-1-yl)pentyl]-1-prop-1-en-2-ylpiperidine is sourced from PubChem (CID 143486913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).