N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-propan-2-ylpiperidin-4-amine

C17H25FN2S — CID 43230782

IUPACN-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(NC2CCSc3ccc(F)cc32)CC1
InChIInChI=1S/C17H25FN2S/c1-12(2)20-8-5-14(6-9-20)19-16-7-10-21-17-4-3-13(18)11-15(16)17/h3-4,11-12,14,16,19H,5-10H2,1-2H3
InChIKeyUBJDNFQHTBEFLN-UHFFFAOYSA-N
MW308.47 g/mol
LogP3.83
Rot. Bonds3

About N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-propan-2-ylpiperidin-4-amine

N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-propan-2-ylpiperidin-4-amine (PubChem CID 43230782) has the molecular formula C17H25FN2S and a molecular weight of 308.47 g/mol. Its IUPAC name is N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-propan-2-ylpiperidin-4-amine
PubChem CID43230782
Molecular FormulaC17H25FN2S
Molecular Weight308.47 g/mol
Exact Mass308.17
IUPAC NameN-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(NC2CCSc3ccc(F)cc32)CC1
InChIInChI=1S/C17H25FN2S/c1-12(2)20-8-5-14(6-9-20)19-16-7-10-21-17-4-3-13(18)11-15(16)17/h3-4,11-12,14,16,19H,5-10H2,1-2H3
InChIKeyUBJDNFQHTBEFLN-UHFFFAOYSA-N
XLogP3.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-propan-2-ylpiperidin-4-amine (CID 43230782) is N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-propan-2-ylpiperidin-4-amine is CC(C)N1CCC(NC2CCSc3ccc(F)cc32)CC1.
What is the InChIKey of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-propan-2-ylpiperidin-4-amine?
The InChIKey is UBJDNFQHTBEFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2S/c1-12(2)20-8-5-14(6-9-20)19-16-7-10-21-17-4-3-13(18)11-15(16)17/h3-4,11-12,14,16,19H,5-10H2,1-2H3.
What are the key properties of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-propan-2-ylpiperidin-4-amine?
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-propan-2-ylpiperidin-4-amine has a molecular weight of 308.47 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 43230782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).