N-[[7-chloro-1-(2,2,2-trifluoroethyl)indol-5-yl]methyl]-1-methylpiperidin-4-amine

C17H21ClF3N3 — CID 150795999

IUPACN-[[7-chloro-1-(2,2,2-trifluoroethyl)indol-5-yl]methyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(NCc2cc(Cl)c3c(ccn3CC(F)(F)F)c2)CC1
InChIInChI=1S/C17H21ClF3N3/c1-23-5-3-14(4-6-23)22-10-12-8-13-2-7-24(11-17(19,20)21)16(13)15(18)9-12/h2,7-9,14,22H,3-6,10-11H2,1H3
InChIKeyKEVQUEBYZAVIAJ-UHFFFAOYSA-N
MW359.82 g/mol
LogP4.04
Rot. Bonds4

About N-[[7-chloro-1-(2,2,2-trifluoroethyl)indol-5-yl]methyl]-1-methylpiperidin-4-amine

N-[[7-chloro-1-(2,2,2-trifluoroethyl)indol-5-yl]methyl]-1-methylpiperidin-4-amine (PubChem CID 150795999) has the molecular formula C17H21ClF3N3 and a molecular weight of 359.82 g/mol. Its IUPAC name is N-[[7-chloro-1-(2,2,2-trifluoroethyl)indol-5-yl]methyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[[7-chloro-1-(2,2,2-trifluoroethyl)indol-5-yl]methyl]-1-methylpiperidin-4-amine
PubChem CID150795999
Molecular FormulaC17H21ClF3N3
Molecular Weight359.82 g/mol
Exact Mass359.14
IUPAC NameN-[[7-chloro-1-(2,2,2-trifluoroethyl)indol-5-yl]methyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(NCc2cc(Cl)c3c(ccn3CC(F)(F)F)c2)CC1
InChIInChI=1S/C17H21ClF3N3/c1-23-5-3-14(4-6-23)22-10-12-8-13-2-7-24(11-17(19,20)21)16(13)15(18)9-12/h2,7-9,14,22H,3-6,10-11H2,1H3
InChIKeyKEVQUEBYZAVIAJ-UHFFFAOYSA-N
XLogP4.04
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.82
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[7-chloro-1-(2,2,2-trifluoroethyl)indol-5-yl]methyl]-1-methylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[7-chloro-1-(2,2,2-trifluoroethyl)indol-5-yl]methyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[[7-chloro-1-(2,2,2-trifluoroethyl)indol-5-yl]methyl]-1-methylpiperidin-4-amine (CID 150795999) is N-[[7-chloro-1-(2,2,2-trifluoroethyl)indol-5-yl]methyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[[7-chloro-1-(2,2,2-trifluoroethyl)indol-5-yl]methyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[[7-chloro-1-(2,2,2-trifluoroethyl)indol-5-yl]methyl]-1-methylpiperidin-4-amine is CN1CCC(NCc2cc(Cl)c3c(ccn3CC(F)(F)F)c2)CC1.
What is the InChIKey of N-[[7-chloro-1-(2,2,2-trifluoroethyl)indol-5-yl]methyl]-1-methylpiperidin-4-amine?
The InChIKey is KEVQUEBYZAVIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClF3N3/c1-23-5-3-14(4-6-23)22-10-12-8-13-2-7-24(11-17(19,20)21)16(13)15(18)9-12/h2,7-9,14,22H,3-6,10-11H2,1H3.
What are the key properties of N-[[7-chloro-1-(2,2,2-trifluoroethyl)indol-5-yl]methyl]-1-methylpiperidin-4-amine?
N-[[7-chloro-1-(2,2,2-trifluoroethyl)indol-5-yl]methyl]-1-methylpiperidin-4-amine has a molecular weight of 359.82 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-chloro-1-(2,2,2-trifluoroethyl)indol-5-yl]methyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 150795999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).