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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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).