3-[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-indole

C22H23F3N2 — CID 67753310

IUPAC3-[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-indole
SMILESFC(F)(F)c1cccc(CCN2CCC(c3c[nH]c4ccccc34)CC2)c1
InChIInChI=1S/C22H23F3N2/c23-22(24,25)18-5-3-4-16(14-18)8-11-27-12-9-17(10-13-27)20-15-26-21-7-2-1-6-19(20)21/h1-7,14-15,17,26H,8-13H2
InChIKeyWANVVIHLPYUNIK-UHFFFAOYSA-N
MW372.43 g/mol
LogP5.61
Rot. Bonds4

About 3-[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-indole

3-[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-indole (PubChem CID 67753310) has the molecular formula C22H23F3N2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 3-[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-indole.

Molecular Properties

Compound Name3-[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-indole
PubChem CID67753310
Molecular FormulaC22H23F3N2
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name3-[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-indole
SMILESFC(F)(F)c1cccc(CCN2CCC(c3c[nH]c4ccccc34)CC2)c1
InChIInChI=1S/C22H23F3N2/c23-22(24,25)18-5-3-4-16(14-18)8-11-27-12-9-17(10-13-27)20-15-26-21-7-2-1-6-19(20)21/h1-7,14-15,17,26H,8-13H2
InChIKeyWANVVIHLPYUNIK-UHFFFAOYSA-N
XLogP5.61
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.43
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-indole
CID 67753677
3-[1-[3-(1H-indol-3-yloxy)propyl]piperidin-4-yl]-6-(trifluoromethyl)-1H-indole
CID 67762256
2-[4-(1H-indol-3-yl)piperidin-1-yl]ethanethiol
CID 116997210
3-(1-butylpiperidin-4-yl)-1H-indole
CID 21135948
3-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]-1H-indole;hydrochloride
CID 18001248
1-[4-(1H-indol-3-yl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 155248386
3-(1-methylpiperidin-4-yl)-1H-indole;dihydrochloride
CID 174560357
3-[1-(2-pyrrolidin-2-ylethyl)piperidin-4-yl]-1H-indole
CID 67426458
5-bromo-3-[1-(2-naphthalen-1-ylethyl)piperidin-4-yl]-1H-indole
CID 67753647
N-ethyl-4-(1H-indol-3-yl)-N-(1-methylpiperidin-4-yl)piperidin-1-amine
CID 143927617
2-[3-[3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]phenyl]acetic acid
CID 23444870
3-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]-1H-benzimidazol-2-one
CID 13056042

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-indole?
The IUPAC name of 3-[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-indole (CID 67753310) is 3-[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-indole.
What is the SMILES notation for 3-[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-indole?
The canonical SMILES for 3-[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-indole is FC(F)(F)c1cccc(CCN2CCC(c3c[nH]c4ccccc34)CC2)c1.
What is the InChIKey of 3-[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-indole?
The InChIKey is WANVVIHLPYUNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2/c23-22(24,25)18-5-3-4-16(14-18)8-11-27-12-9-17(10-13-27)20-15-26-21-7-2-1-6-19(20)21/h1-7,14-15,17,26H,8-13H2.
What are the key properties of 3-[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-indole?
3-[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-indole has a molecular weight of 372.43 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-indole is sourced from PubChem (CID 67753310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).