7-[[4,4-difluoro-3-(2-phenylethyl)piperidin-1-yl]methyl]-1H-indole

C22H24F2N2 — CID 134151711

IUPAC7-[[4,4-difluoro-3-(2-phenylethyl)piperidin-1-yl]methyl]-1H-indole
SMILESFC1(F)CCN(Cc2cccc3cc[nH]c23)CC1CCc1ccccc1
InChIInChI=1S/C22H24F2N2/c23-22(24)12-14-26(15-19-8-4-7-18-11-13-25-21(18)19)16-20(22)10-9-17-5-2-1-3-6-17/h1-8,11,13,20,25H,9-10,12,14-16H2
InChIKeyYFIHOXPEZFETCV-UHFFFAOYSA-N
MW354.44 g/mol
LogP5.26
Rot. Bonds5

About 7-[[4,4-difluoro-3-(2-phenylethyl)piperidin-1-yl]methyl]-1H-indole

7-[[4,4-difluoro-3-(2-phenylethyl)piperidin-1-yl]methyl]-1H-indole (PubChem CID 134151711) has the molecular formula C22H24F2N2 and a molecular weight of 354.44 g/mol. Its IUPAC name is 7-[[4,4-difluoro-3-(2-phenylethyl)piperidin-1-yl]methyl]-1H-indole.

Molecular Properties

Compound Name7-[[4,4-difluoro-3-(2-phenylethyl)piperidin-1-yl]methyl]-1H-indole
PubChem CID134151711
Molecular FormulaC22H24F2N2
Molecular Weight354.44 g/mol
Exact Mass354.19
IUPAC Name7-[[4,4-difluoro-3-(2-phenylethyl)piperidin-1-yl]methyl]-1H-indole
SMILESFC1(F)CCN(Cc2cccc3cc[nH]c23)CC1CCc1ccccc1
InChIInChI=1S/C22H24F2N2/c23-22(24)12-14-26(15-19-8-4-7-18-11-13-25-21(18)19)16-20(22)10-9-17-5-2-1-3-6-17/h1-8,11,13,20,25H,9-10,12,14-16H2
InChIKeyYFIHOXPEZFETCV-UHFFFAOYSA-N
XLogP5.26
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.44
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Indole
CID 798
Skatole
CID 6736
Tryptamine
CID 1150
N,N-Dimethyltryptamine
CID 6089
3,3'-Diindolylmethane
CID 3071
Gramine
CID 6890
Beta-Carboline
CID 64961
(+-)-alpha-Methyltryptamine
CID 9287
Methyltryptamine
CID 6088
Indalpine
CID 44668
Alpha-Ethyltryptamine
CID 8367
Latrepirdine
CID 197033

Frequently Asked Questions

What is the IUPAC name of 7-[[4,4-difluoro-3-(2-phenylethyl)piperidin-1-yl]methyl]-1H-indole?
The IUPAC name of 7-[[4,4-difluoro-3-(2-phenylethyl)piperidin-1-yl]methyl]-1H-indole (CID 134151711) is 7-[[4,4-difluoro-3-(2-phenylethyl)piperidin-1-yl]methyl]-1H-indole.
What is the SMILES notation for 7-[[4,4-difluoro-3-(2-phenylethyl)piperidin-1-yl]methyl]-1H-indole?
The canonical SMILES for 7-[[4,4-difluoro-3-(2-phenylethyl)piperidin-1-yl]methyl]-1H-indole is FC1(F)CCN(Cc2cccc3cc[nH]c23)CC1CCc1ccccc1.
What is the InChIKey of 7-[[4,4-difluoro-3-(2-phenylethyl)piperidin-1-yl]methyl]-1H-indole?
The InChIKey is YFIHOXPEZFETCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2/c23-22(24)12-14-26(15-19-8-4-7-18-11-13-25-21(18)19)16-20(22)10-9-17-5-2-1-3-6-17/h1-8,11,13,20,25H,9-10,12,14-16H2.
What are the key properties of 7-[[4,4-difluoro-3-(2-phenylethyl)piperidin-1-yl]methyl]-1H-indole?
7-[[4,4-difluoro-3-(2-phenylethyl)piperidin-1-yl]methyl]-1H-indole has a molecular weight of 354.44 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4,4-difluoro-3-(2-phenylethyl)piperidin-1-yl]methyl]-1H-indole is sourced from PubChem (CID 134151711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).