1-[4-[[1-(2-fluoroethyl)-2-methylindol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol

C20H30FN3O2 — CID 156712466

IUPAC1-[4-[[1-(2-fluoroethyl)-2-methylindol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol
SMILESCOCC(O)CN1CCC(Nc2cccc3c2cc(C)n3CCF)CC1
InChIInChI=1S/C20H30FN3O2/c1-15-12-18-19(4-3-5-20(18)24(15)11-8-21)22-16-6-9-23(10-7-16)13-17(25)14-26-2/h3-5,12,16-17,22,25H,6-11,13-14H2,1-2H3
InChIKeyBDIZTWOFHCEANA-UHFFFAOYSA-N
MW363.48 g/mol
LogP2.80
Rot. Bonds8

About 1-[4-[[1-(2-fluoroethyl)-2-methylindol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol

1-[4-[[1-(2-fluoroethyl)-2-methylindol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol (PubChem CID 156712466) has the molecular formula C20H30FN3O2 and a molecular weight of 363.48 g/mol. Its IUPAC name is 1-[4-[[1-(2-fluoroethyl)-2-methylindol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[4-[[1-(2-fluoroethyl)-2-methylindol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol
PubChem CID156712466
Molecular FormulaC20H30FN3O2
Molecular Weight363.48 g/mol
Exact Mass363.23
IUPAC Name1-[4-[[1-(2-fluoroethyl)-2-methylindol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol
SMILESCOCC(O)CN1CCC(Nc2cccc3c2cc(C)n3CCF)CC1
InChIInChI=1S/C20H30FN3O2/c1-15-12-18-19(4-3-5-20(18)24(15)11-8-21)22-16-6-9-23(10-7-16)13-17(25)14-26-2/h3-5,12,16-17,22,25H,6-11,13-14H2,1-2H3
InChIKeyBDIZTWOFHCEANA-UHFFFAOYSA-N
XLogP2.80
TPSA49.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[4-[[1-(2-fluoroethyl)-2-methylindol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol with MolForge

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Related Compounds

acetylene;ethane;N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methyl-1-(2,2,2-trifluoroethyl)indol-4-amine
CID 156712157
N-[3-[4-[[1-(2-hydroxy-3-methoxypropyl)piperidin-4-yl]amino]-1-(1,2,2-trifluoroethyl)indol-2-yl]phenyl]acetamide
CID 175459712
1-[4-[[1-[(2,2-difluorocyclopropyl)methyl]-2-[3-(2-methoxy-4-methylsulfanylanilino)prop-1-ynyl]indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol
CID 156712845
1-methoxy-3-[4-[[2-[3-[4-methylsulfanyl-2-(trifluoromethoxy)anilino]prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propan-2-ol
CID 156712587
1-[4-[[2-[3-[4-(benzenesulfonyl)-2-methoxyanilino]prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol
CID 156712163
1-methoxy-3-[4-[[2-[3-(4-methylsulfonyl-2-propoxyanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propan-2-ol
CID 169283926
1-[4-[(2,3-dimethylquinolin-4-yl)amino]piperidin-1-yl]-3-methoxypropan-2-ol
CID 133451891
1-methoxy-3-[4-[(6-methylquinazolin-4-yl)amino]piperidin-1-yl]propan-2-ol
CID 133406522
ethane;2-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-1-(2,2,2-trifluoroethyl)indol-4-amine
CID 157047391
ethane;2-methyl-N-(4-methylcyclohexyl)-1-(2,2,2-trifluoroethyl)indol-4-amine
CID 156712354
4-[3-[4-[[1-(2,3-dihydroxypropyl)piperidin-4-yl]amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxybenzaldehyde;methanol
CID 145356290
3-[4-[[2-[3-(4-ethylsulfonyl-2-methoxyanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propane-1,2-diol
CID 130338292

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[1-(2-fluoroethyl)-2-methylindol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol?
The IUPAC name of 1-[4-[[1-(2-fluoroethyl)-2-methylindol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol (CID 156712466) is 1-[4-[[1-(2-fluoroethyl)-2-methylindol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[4-[[1-(2-fluoroethyl)-2-methylindol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[4-[[1-(2-fluoroethyl)-2-methylindol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol is COCC(O)CN1CCC(Nc2cccc3c2cc(C)n3CCF)CC1.
What is the InChIKey of 1-[4-[[1-(2-fluoroethyl)-2-methylindol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol?
The InChIKey is BDIZTWOFHCEANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FN3O2/c1-15-12-18-19(4-3-5-20(18)24(15)11-8-21)22-16-6-9-23(10-7-16)13-17(25)14-26-2/h3-5,12,16-17,22,25H,6-11,13-14H2,1-2H3.
What are the key properties of 1-[4-[[1-(2-fluoroethyl)-2-methylindol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol?
1-[4-[[1-(2-fluoroethyl)-2-methylindol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol has a molecular weight of 363.48 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[1-(2-fluoroethyl)-2-methylindol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol is sourced from PubChem (CID 156712466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).