2-[4-[2-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]-N-methylethanamine

C22H25ClFN3 — CID 19379863

IUPAC2-[4-[2-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]-N-methylethanamine
SMILESCNCCN1CCC(c2c(Cl)n(-c3ccc(F)cc3)c3ccccc23)CC1
InChIInChI=1S/C22H25ClFN3/c1-25-12-15-26-13-10-16(11-14-26)21-19-4-2-3-5-20(19)27(22(21)23)18-8-6-17(24)7-9-18/h2-9,16,25H,10-15H2,1H3
InChIKeyHDGMMRWETJWPRV-UHFFFAOYSA-N
MW385.91 g/mol
LogP4.82
Rot. Bonds5

About 2-[4-[2-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]-N-methylethanamine

2-[4-[2-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]-N-methylethanamine (PubChem CID 19379863) has the molecular formula C22H25ClFN3 and a molecular weight of 385.91 g/mol. Its IUPAC name is 2-[4-[2-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-[2-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]-N-methylethanamine
PubChem CID19379863
Molecular FormulaC22H25ClFN3
Molecular Weight385.91 g/mol
Exact Mass385.17
IUPAC Name2-[4-[2-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]-N-methylethanamine
SMILESCNCCN1CCC(c2c(Cl)n(-c3ccc(F)cc3)c3ccccc23)CC1
InChIInChI=1S/C22H25ClFN3/c1-25-12-15-26-13-10-16(11-14-26)21-19-4-2-3-5-20(19)27(22(21)23)18-8-6-17(24)7-9-18/h2-9,16,25H,10-15H2,1H3
InChIKeyHDGMMRWETJWPRV-UHFFFAOYSA-N
XLogP4.82
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.91
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]-N-methylethanamine
CID 14947118
4-[2-ethyl-6-fluoro-3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]indol-1-yl]-N-[2-(methylamino)ethyl]benzamide
CID 24776452
N-[4-fluoro-2-[3-fluoro-5-[1-[2-(methylamino)ethyl]piperidin-4-yl]-1H-indol-2-yl]phenyl]methanesulfonamide
CID 58730856
2-[(3S)-3-benzylpyrrolidin-1-yl]-N-methylethanamine
CID 67739617
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-methylethanamine
CID 43135360
N-methyl-2-[4-[3-methyl-2-(2-propan-2-yloxyphenyl)-1H-indol-5-yl]piperidin-1-yl]ethanamine
CID 58730842
3-[1-(2-chloroethyl)piperidin-4-yl]-1-methylindazole
CID 177255693
N-methyl-3-[1-[2-(methylamino)ethyl]piperidin-4-yl]aniline
CID 145463368
1-(4-chlorophenyl)-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-methylbenzimidazol-2-one
CID 139758784
N-methyl-2-[4-[3-methyl-2-(2-phenylmethoxyphenyl)-1H-indol-5-yl]piperidin-1-yl]ethanamine
CID 58730804
3-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-1-methyl-1-propan-2-ylurea
CID 67785260
3-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-1-methyl-1-propylurea
CID 67785262

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]-N-methylethanamine?
The IUPAC name of 2-[4-[2-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]-N-methylethanamine (CID 19379863) is 2-[4-[2-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4-[2-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]-N-methylethanamine?
The canonical SMILES for 2-[4-[2-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]-N-methylethanamine is CNCCN1CCC(c2c(Cl)n(-c3ccc(F)cc3)c3ccccc23)CC1.
What is the InChIKey of 2-[4-[2-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]-N-methylethanamine?
The InChIKey is HDGMMRWETJWPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClFN3/c1-25-12-15-26-13-10-16(11-14-26)21-19-4-2-3-5-20(19)27(22(21)23)18-8-6-17(24)7-9-18/h2-9,16,25H,10-15H2,1H3.
What are the key properties of 2-[4-[2-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]-N-methylethanamine?
2-[4-[2-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]-N-methylethanamine has a molecular weight of 385.91 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]-N-methylethanamine is sourced from PubChem (CID 19379863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).