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

C14H20FNO — CID 166838536

IUPAC(7-fluoro-2-methylcyclohepta-1,3-dien-1-yl)-piperidin-1-ylmethanone
SMILESCC1=C(C(=O)N2CCCCC2)C(F)CCC=C1
InChIInChI=1S/C14H20FNO/c1-11-7-3-4-8-12(15)13(11)14(17)16-9-5-2-6-10-16/h3,7,12H,2,4-6,8-10H2,1H3
InChIKeyMYWOYMUTBFTPTC-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.00
Rot. Bonds1

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

(7-fluoro-2-methylcyclohepta-1,3-dien-1-yl)-piperidin-1-ylmethanone (PubChem CID 166838536) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is (7-fluoro-2-methylcyclohepta-1,3-dien-1-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(7-fluoro-2-methylcyclohepta-1,3-dien-1-yl)-piperidin-1-ylmethanone
PubChem CID166838536
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name(7-fluoro-2-methylcyclohepta-1,3-dien-1-yl)-piperidin-1-ylmethanone
SMILESCC1=C(C(=O)N2CCCCC2)C(F)CCC=C1
InChIInChI=1S/C14H20FNO/c1-11-7-3-4-8-12(15)13(11)14(17)16-9-5-2-6-10-16/h3,7,12H,2,4-6,8-10H2,1H3
InChIKeyMYWOYMUTBFTPTC-UHFFFAOYSA-N
XLogP3.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (7-fluoro-2-methylcyclohepta-1,3-dien-1-yl)-piperidin-1-ylmethanone?
The IUPAC name of (7-fluoro-2-methylcyclohepta-1,3-dien-1-yl)-piperidin-1-ylmethanone (CID 166838536) is (7-fluoro-2-methylcyclohepta-1,3-dien-1-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (7-fluoro-2-methylcyclohepta-1,3-dien-1-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (7-fluoro-2-methylcyclohepta-1,3-dien-1-yl)-piperidin-1-ylmethanone is CC1=C(C(=O)N2CCCCC2)C(F)CCC=C1.
What is the InChIKey of (7-fluoro-2-methylcyclohepta-1,3-dien-1-yl)-piperidin-1-ylmethanone?
The InChIKey is MYWOYMUTBFTPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-11-7-3-4-8-12(15)13(11)14(17)16-9-5-2-6-10-16/h3,7,12H,2,4-6,8-10H2,1H3.
What are the key properties of (7-fluoro-2-methylcyclohepta-1,3-dien-1-yl)-piperidin-1-ylmethanone?
(7-fluoro-2-methylcyclohepta-1,3-dien-1-yl)-piperidin-1-ylmethanone has a molecular weight of 237.32 g/mol, XLogP of 3.00, 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-dien-1-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 166838536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).