N-ethyl-3-[[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]methyl]-3,4-dihydropyridin-5-amine

C20H28FN3 — CID 141291124

IUPACN-ethyl-3-[[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]methyl]-3,4-dihydropyridin-5-amine
SMILESCCNC1=CN=CC(Cc2ccc(C3CCN(C)CC3)c(F)c2)C1
InChIInChI=1S/C20H28FN3/c1-3-23-18-11-16(13-22-14-18)10-15-4-5-19(20(21)12-15)17-6-8-24(2)9-7-17/h4-5,12-14,16-17,23H,3,6-11H2,1-2H3
InChIKeyHOTIIWYWKSQMKE-UHFFFAOYSA-N
MW329.46 g/mol
LogP3.72
Rot. Bonds5

About N-ethyl-3-[[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]methyl]-3,4-dihydropyridin-5-amine

N-ethyl-3-[[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]methyl]-3,4-dihydropyridin-5-amine (PubChem CID 141291124) has the molecular formula C20H28FN3 and a molecular weight of 329.46 g/mol. Its IUPAC name is N-ethyl-3-[[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]methyl]-3,4-dihydropyridin-5-amine.

Molecular Properties

Compound NameN-ethyl-3-[[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]methyl]-3,4-dihydropyridin-5-amine
PubChem CID141291124
Molecular FormulaC20H28FN3
Molecular Weight329.46 g/mol
Exact Mass329.23
IUPAC NameN-ethyl-3-[[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]methyl]-3,4-dihydropyridin-5-amine
SMILESCCNC1=CN=CC(Cc2ccc(C3CCN(C)CC3)c(F)c2)C1
InChIInChI=1S/C20H28FN3/c1-3-23-18-11-16(13-22-14-18)10-15-4-5-19(20(21)12-15)17-6-8-24(2)9-7-17/h4-5,12-14,16-17,23H,3,6-11H2,1-2H3
InChIKeyHOTIIWYWKSQMKE-UHFFFAOYSA-N
XLogP3.72
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]methyl]-3,4-dihydropyridin-5-amine?
The IUPAC name of N-ethyl-3-[[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]methyl]-3,4-dihydropyridin-5-amine (CID 141291124) is N-ethyl-3-[[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]methyl]-3,4-dihydropyridin-5-amine.
What is the SMILES notation for N-ethyl-3-[[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]methyl]-3,4-dihydropyridin-5-amine?
The canonical SMILES for N-ethyl-3-[[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]methyl]-3,4-dihydropyridin-5-amine is CCNC1=CN=CC(Cc2ccc(C3CCN(C)CC3)c(F)c2)C1.
What is the InChIKey of N-ethyl-3-[[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]methyl]-3,4-dihydropyridin-5-amine?
The InChIKey is HOTIIWYWKSQMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3/c1-3-23-18-11-16(13-22-14-18)10-15-4-5-19(20(21)12-15)17-6-8-24(2)9-7-17/h4-5,12-14,16-17,23H,3,6-11H2,1-2H3.
What are the key properties of N-ethyl-3-[[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]methyl]-3,4-dihydropyridin-5-amine?
N-ethyl-3-[[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]methyl]-3,4-dihydropyridin-5-amine has a molecular weight of 329.46 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]methyl]-3,4-dihydropyridin-5-amine is sourced from PubChem (CID 141291124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).