N-ethyl-3-[[4-(1-ethylpiperidin-4-yl)-3-fluorophenyl]methyl]-3,4-dihydropyridin-5-amine

C21H30FN3 — CID 141291069

IUPACN-ethyl-3-[[4-(1-ethylpiperidin-4-yl)-3-fluorophenyl]methyl]-3,4-dihydropyridin-5-amine
SMILESCCNC1=CN=CC(Cc2ccc(C3CCN(CC)CC3)c(F)c2)C1
InChIInChI=1S/C21H30FN3/c1-3-24-19-12-17(14-23-15-19)11-16-5-6-20(21(22)13-16)18-7-9-25(4-2)10-8-18/h5-6,13-15,17-18,24H,3-4,7-12H2,1-2H3
InChIKeyNJTOASWUOUHESM-UHFFFAOYSA-N
MW343.49 g/mol
LogP4.11
Rot. Bonds6

About N-ethyl-3-[[4-(1-ethylpiperidin-4-yl)-3-fluorophenyl]methyl]-3,4-dihydropyridin-5-amine

N-ethyl-3-[[4-(1-ethylpiperidin-4-yl)-3-fluorophenyl]methyl]-3,4-dihydropyridin-5-amine (PubChem CID 141291069) has the molecular formula C21H30FN3 and a molecular weight of 343.49 g/mol. Its IUPAC name is N-ethyl-3-[[4-(1-ethylpiperidin-4-yl)-3-fluorophenyl]methyl]-3,4-dihydropyridin-5-amine.

Molecular Properties

Compound NameN-ethyl-3-[[4-(1-ethylpiperidin-4-yl)-3-fluorophenyl]methyl]-3,4-dihydropyridin-5-amine
PubChem CID141291069
Molecular FormulaC21H30FN3
Molecular Weight343.49 g/mol
Exact Mass343.24
IUPAC NameN-ethyl-3-[[4-(1-ethylpiperidin-4-yl)-3-fluorophenyl]methyl]-3,4-dihydropyridin-5-amine
SMILESCCNC1=CN=CC(Cc2ccc(C3CCN(CC)CC3)c(F)c2)C1
InChIInChI=1S/C21H30FN3/c1-3-24-19-12-17(14-23-15-19)11-16-5-6-20(21(22)13-16)18-7-9-25(4-2)10-8-18/h5-6,13-15,17-18,24H,3-4,7-12H2,1-2H3
InChIKeyNJTOASWUOUHESM-UHFFFAOYSA-N
XLogP4.11
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[4-(1-ethylpiperidin-4-yl)-3-fluorophenyl]methyl]-3,4-dihydropyridin-5-amine?
The IUPAC name of N-ethyl-3-[[4-(1-ethylpiperidin-4-yl)-3-fluorophenyl]methyl]-3,4-dihydropyridin-5-amine (CID 141291069) is N-ethyl-3-[[4-(1-ethylpiperidin-4-yl)-3-fluorophenyl]methyl]-3,4-dihydropyridin-5-amine.
What is the SMILES notation for N-ethyl-3-[[4-(1-ethylpiperidin-4-yl)-3-fluorophenyl]methyl]-3,4-dihydropyridin-5-amine?
The canonical SMILES for N-ethyl-3-[[4-(1-ethylpiperidin-4-yl)-3-fluorophenyl]methyl]-3,4-dihydropyridin-5-amine is CCNC1=CN=CC(Cc2ccc(C3CCN(CC)CC3)c(F)c2)C1.
What is the InChIKey of N-ethyl-3-[[4-(1-ethylpiperidin-4-yl)-3-fluorophenyl]methyl]-3,4-dihydropyridin-5-amine?
The InChIKey is NJTOASWUOUHESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FN3/c1-3-24-19-12-17(14-23-15-19)11-16-5-6-20(21(22)13-16)18-7-9-25(4-2)10-8-18/h5-6,13-15,17-18,24H,3-4,7-12H2,1-2H3.
What are the key properties of N-ethyl-3-[[4-(1-ethylpiperidin-4-yl)-3-fluorophenyl]methyl]-3,4-dihydropyridin-5-amine?
N-ethyl-3-[[4-(1-ethylpiperidin-4-yl)-3-fluorophenyl]methyl]-3,4-dihydropyridin-5-amine has a molecular weight of 343.49 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[4-(1-ethylpiperidin-4-yl)-3-fluorophenyl]methyl]-3,4-dihydropyridin-5-amine is sourced from PubChem (CID 141291069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).