3-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1H-indole

C15H18F2N2 — CID 117007752

IUPAC3-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1H-indole
SMILESFC1(F)CCN(CCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C15H18F2N2/c16-15(17)6-9-19(10-7-15)8-5-12-11-18-14-4-2-1-3-13(12)14/h1-4,11,18H,5-10H2
InChIKeyYNEBZNNHBFXZLP-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.44
Rot. Bonds3

About 3-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1H-indole

3-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1H-indole (PubChem CID 117007752) has the molecular formula C15H18F2N2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1H-indole.

Molecular Properties

Compound Name3-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1H-indole
PubChem CID117007752
Molecular FormulaC15H18F2N2
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name3-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1H-indole
SMILESFC1(F)CCN(CCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C15H18F2N2/c16-15(17)6-9-19(10-7-15)8-5-12-11-18-14-4-2-1-3-13(12)14/h1-4,11,18H,5-10H2
InChIKeyYNEBZNNHBFXZLP-UHFFFAOYSA-N
XLogP3.44
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393
4-[2-(1H-indol-3-yl)ethyl]-1,4-thiazinane 1,1-dioxide
CID 2767993
4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carbaldehyde
CID 91084591
2-(1H-indol-3-yl)-1-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethanone
CID 110412445
4-(imidazol-1-ylmethyl)-1-[2-(1H-indol-3-yl)ethyl]piperidin-4-ol
CID 171913881
3-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]-1H-indole
CID 19610450
1'-[2-(1H-indol-3-yl)ethyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 142706537
9-[2-(1H-indol-3-yl)ethyl]-2,5-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 20537385
8-[2-(1H-indol-3-yl)ethyl]-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 13016630
4-ethyl-9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;hydrochloride
CID 20537388
3-(4-piperazin-1-ylbutyl)-1H-indole
CID 95465204
7-[2-(1H-indol-3-yl)ethyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
CID 176503269

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1H-indole?
The IUPAC name of 3-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1H-indole (CID 117007752) is 3-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1H-indole.
What is the SMILES notation for 3-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1H-indole?
The canonical SMILES for 3-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1H-indole is FC1(F)CCN(CCc2c[nH]c3ccccc23)CC1.
What is the InChIKey of 3-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1H-indole?
The InChIKey is YNEBZNNHBFXZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2/c16-15(17)6-9-19(10-7-15)8-5-12-11-18-14-4-2-1-3-13(12)14/h1-4,11,18H,5-10H2.
What are the key properties of 3-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1H-indole?
3-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1H-indole has a molecular weight of 264.32 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1H-indole is sourced from PubChem (CID 117007752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).