1-(5-fluoro-2-methylcyclohept-4-en-1-yl)-N-(2-piperidin-1-ylethyl)ethanamine

C17H31FN2 — CID 123207174

IUPAC1-(5-fluoro-2-methylcyclohept-4-en-1-yl)-N-(2-piperidin-1-ylethyl)ethanamine
SMILESCC1CC=C(F)CCC1C(C)NCCN1CCCCC1
InChIInChI=1S/C17H31FN2/c1-14-6-7-16(18)8-9-17(14)15(2)19-10-13-20-11-4-3-5-12-20/h7,14-15,17,19H,3-6,8-13H2,1-2H3
InChIKeyGWWXEXZTQLGMSW-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.74
Rot. Bonds5

About 1-(5-fluoro-2-methylcyclohept-4-en-1-yl)-N-(2-piperidin-1-ylethyl)ethanamine

1-(5-fluoro-2-methylcyclohept-4-en-1-yl)-N-(2-piperidin-1-ylethyl)ethanamine (PubChem CID 123207174) has the molecular formula C17H31FN2 and a molecular weight of 282.45 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylcyclohept-4-en-1-yl)-N-(2-piperidin-1-ylethyl)ethanamine.

Molecular Properties

Compound Name1-(5-fluoro-2-methylcyclohept-4-en-1-yl)-N-(2-piperidin-1-ylethyl)ethanamine
PubChem CID123207174
Molecular FormulaC17H31FN2
Molecular Weight282.45 g/mol
Exact Mass282.25
IUPAC Name1-(5-fluoro-2-methylcyclohept-4-en-1-yl)-N-(2-piperidin-1-ylethyl)ethanamine
SMILESCC1CC=C(F)CCC1C(C)NCCN1CCCCC1
InChIInChI=1S/C17H31FN2/c1-14-6-7-16(18)8-9-17(14)15(2)19-10-13-20-11-4-3-5-12-20/h7,14-15,17,19H,3-6,8-13H2,1-2H3
InChIKeyGWWXEXZTQLGMSW-UHFFFAOYSA-N
XLogP3.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylcyclohept-4-en-1-yl)-N-(2-piperidin-1-ylethyl)ethanamine?
The IUPAC name of 1-(5-fluoro-2-methylcyclohept-4-en-1-yl)-N-(2-piperidin-1-ylethyl)ethanamine (CID 123207174) is 1-(5-fluoro-2-methylcyclohept-4-en-1-yl)-N-(2-piperidin-1-ylethyl)ethanamine.
What is the SMILES notation for 1-(5-fluoro-2-methylcyclohept-4-en-1-yl)-N-(2-piperidin-1-ylethyl)ethanamine?
The canonical SMILES for 1-(5-fluoro-2-methylcyclohept-4-en-1-yl)-N-(2-piperidin-1-ylethyl)ethanamine is CC1CC=C(F)CCC1C(C)NCCN1CCCCC1.
What is the InChIKey of 1-(5-fluoro-2-methylcyclohept-4-en-1-yl)-N-(2-piperidin-1-ylethyl)ethanamine?
The InChIKey is GWWXEXZTQLGMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31FN2/c1-14-6-7-16(18)8-9-17(14)15(2)19-10-13-20-11-4-3-5-12-20/h7,14-15,17,19H,3-6,8-13H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-methylcyclohept-4-en-1-yl)-N-(2-piperidin-1-ylethyl)ethanamine?
1-(5-fluoro-2-methylcyclohept-4-en-1-yl)-N-(2-piperidin-1-ylethyl)ethanamine has a molecular weight of 282.45 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylcyclohept-4-en-1-yl)-N-(2-piperidin-1-ylethyl)ethanamine is sourced from PubChem (CID 123207174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).