(7-fluoro-2-methylcyclohepta-1,3,5-trien-1-yl)-piperidin-1-ylmethanone

C14H18FNO — CID 166838506

IUPAC(7-fluoro-2-methylcyclohepta-1,3,5-trien-1-yl)-piperidin-1-ylmethanone
SMILESCC1=C(C(=O)N2CCCCC2)C(F)C=CC=C1
InChIInChI=1S/C14H18FNO/c1-11-7-3-4-8-12(15)13(11)14(17)16-9-5-2-6-10-16/h3-4,7-8,12H,2,5-6,9-10H2,1H3
InChIKeySTMRERGSIRPLRC-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.78
Rot. Bonds1

About (7-fluoro-2-methylcyclohepta-1,3,5-trien-1-yl)-piperidin-1-ylmethanone

(7-fluoro-2-methylcyclohepta-1,3,5-trien-1-yl)-piperidin-1-ylmethanone (PubChem CID 166838506) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is (7-fluoro-2-methylcyclohepta-1,3,5-trien-1-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(7-fluoro-2-methylcyclohepta-1,3,5-trien-1-yl)-piperidin-1-ylmethanone
PubChem CID166838506
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name(7-fluoro-2-methylcyclohepta-1,3,5-trien-1-yl)-piperidin-1-ylmethanone
SMILESCC1=C(C(=O)N2CCCCC2)C(F)C=CC=C1
InChIInChI=1S/C14H18FNO/c1-11-7-3-4-8-12(15)13(11)14(17)16-9-5-2-6-10-16/h3-4,7-8,12H,2,5-6,9-10H2,1H3
InChIKeySTMRERGSIRPLRC-UHFFFAOYSA-N
XLogP2.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2E,4Z-Decadienoyl)piperidine
CID 21634287
Neopellitorine B
CID 11118018
2,4-Decadienoic acid piperidide
CID 73816694
(2E)-1-piperidin-1-yldeca-2,4-dien-1-one
CID 172863088
(2E,4E)-5,9-dimethyl-1-piperidin-1-yldeca-2,4,8-trien-1-one
CID 44561415
(2E,4E,8Z,11Z)-1-piperidin-1-yltetradeca-2,4,8,11-tetraen-1-one
CID 11403481
(2E,4E,8Z)-1-piperidin-1-yldeca-2,4,8-trien-1-one
CID 14427414
1-Piperidin-1-yldeca-2,4,8-trien-1-one
CID 163073268
(4,4-Difluoropiperidin-1-yl)-(4-methylcyclohexa-1,5-dien-1-yl)methanone
CID 70224442
1-(4-Ethylidene-3-methylidenepiperidin-1-yl)-2,2,2-trifluoroethanone
CID 123837083
(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-[4-[5-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]piperidin-1-yl]methanone
CID 126749050
Azepan-1-yl-(6-fluoro-2-methylcyclohepta-1,3,5-trien-1-yl)methanone
CID 129084388

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-2-methylcyclohepta-1,3,5-trien-1-yl)-piperidin-1-ylmethanone?
The IUPAC name of (7-fluoro-2-methylcyclohepta-1,3,5-trien-1-yl)-piperidin-1-ylmethanone (CID 166838506) is (7-fluoro-2-methylcyclohepta-1,3,5-trien-1-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (7-fluoro-2-methylcyclohepta-1,3,5-trien-1-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (7-fluoro-2-methylcyclohepta-1,3,5-trien-1-yl)-piperidin-1-ylmethanone is CC1=C(C(=O)N2CCCCC2)C(F)C=CC=C1.
What is the InChIKey of (7-fluoro-2-methylcyclohepta-1,3,5-trien-1-yl)-piperidin-1-ylmethanone?
The InChIKey is STMRERGSIRPLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-11-7-3-4-8-12(15)13(11)14(17)16-9-5-2-6-10-16/h3-4,7-8,12H,2,5-6,9-10H2,1H3.
What are the key properties of (7-fluoro-2-methylcyclohepta-1,3,5-trien-1-yl)-piperidin-1-ylmethanone?
(7-fluoro-2-methylcyclohepta-1,3,5-trien-1-yl)-piperidin-1-ylmethanone has a molecular weight of 235.30 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-2-methylcyclohepta-1,3,5-trien-1-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 166838506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).