3-[1-(cyclooctylmethyl)piperidin-4-yl]-5-fluoro-1H-indole

C22H31FN2 — CID 16665917

IUPAC3-[1-(cyclooctylmethyl)piperidin-4-yl]-5-fluoro-1H-indole
SMILESFc1ccc2[nH]cc(C3CCN(CC4CCCCCCC4)CC3)c2c1
InChIInChI=1S/C22H31FN2/c23-19-8-9-22-20(14-19)21(15-24-22)18-10-12-25(13-11-18)16-17-6-4-2-1-3-5-7-17/h8-9,14-15,17-18,24H,1-7,10-13,16H2
InChIKeyBBBYVYIYJFRBCC-UHFFFAOYSA-N
MW342.50 g/mol
LogP5.85
Rot. Bonds3

About 3-[1-(cyclooctylmethyl)piperidin-4-yl]-5-fluoro-1H-indole

3-[1-(cyclooctylmethyl)piperidin-4-yl]-5-fluoro-1H-indole (PubChem CID 16665917) has the molecular formula C22H31FN2 and a molecular weight of 342.50 g/mol. Its IUPAC name is 3-[1-(cyclooctylmethyl)piperidin-4-yl]-5-fluoro-1H-indole.

Molecular Properties

Compound Name3-[1-(cyclooctylmethyl)piperidin-4-yl]-5-fluoro-1H-indole
PubChem CID16665917
Molecular FormulaC22H31FN2
Molecular Weight342.50 g/mol
Exact Mass342.25
IUPAC Name3-[1-(cyclooctylmethyl)piperidin-4-yl]-5-fluoro-1H-indole
SMILESFc1ccc2[nH]cc(C3CCN(CC4CCCCCCC4)CC3)c2c1
InChIInChI=1S/C22H31FN2/c23-19-8-9-22-20(14-19)21(15-24-22)18-10-12-25(13-11-18)16-17-6-4-2-1-3-5-7-17/h8-9,14-15,17-18,24H,1-7,10-13,16H2
InChIKeyBBBYVYIYJFRBCC-UHFFFAOYSA-N
XLogP5.85
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.50
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[1-[2-[1-(cyclopropylmethyl)pyrazol-4-yl]ethyl]piperidin-4-yl]-5-fluoro-1H-indole
CID 67758842
cyclobutyl-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087422
2-(5-fluoro-1H-indol-3-yl)-1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 67623901
3-(5-fluoro-1H-indol-3-yl)-1-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 155535386
(2R)-4-(cyclopropylmethyl)-1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]sulfonyl-N-hydroxypiperazine-2-carboxamide
CID 18727261
4-(cyclopropylmethyl)-1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]sulfonyl-N-hydroxypiperazine-2-carboxamide
CID 15486975
(E)-but-2-enedioic acid;3-[1-[(6-chloro-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]-5-fluoro-1H-indole
CID 18545878
1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol
CID 21268311
N-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
CID 70339130
4-[5-[[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]benzonitrile
CID 18416538
3-[1-(cyclooctylmethyl)piperidin-4-yl]-5-fluorobenzene-1,2-diamine
CID 118877757
5-fluoro-3-[1-[2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethyl]piperidin-4-yl]-1H-indole
CID 15837561

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclooctylmethyl)piperidin-4-yl]-5-fluoro-1H-indole?
The IUPAC name of 3-[1-(cyclooctylmethyl)piperidin-4-yl]-5-fluoro-1H-indole (CID 16665917) is 3-[1-(cyclooctylmethyl)piperidin-4-yl]-5-fluoro-1H-indole.
What is the SMILES notation for 3-[1-(cyclooctylmethyl)piperidin-4-yl]-5-fluoro-1H-indole?
The canonical SMILES for 3-[1-(cyclooctylmethyl)piperidin-4-yl]-5-fluoro-1H-indole is Fc1ccc2[nH]cc(C3CCN(CC4CCCCCCC4)CC3)c2c1.
What is the InChIKey of 3-[1-(cyclooctylmethyl)piperidin-4-yl]-5-fluoro-1H-indole?
The InChIKey is BBBYVYIYJFRBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FN2/c23-19-8-9-22-20(14-19)21(15-24-22)18-10-12-25(13-11-18)16-17-6-4-2-1-3-5-7-17/h8-9,14-15,17-18,24H,1-7,10-13,16H2.
What are the key properties of 3-[1-(cyclooctylmethyl)piperidin-4-yl]-5-fluoro-1H-indole?
3-[1-(cyclooctylmethyl)piperidin-4-yl]-5-fluoro-1H-indole has a molecular weight of 342.50 g/mol, XLogP of 5.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclooctylmethyl)piperidin-4-yl]-5-fluoro-1H-indole is sourced from PubChem (CID 16665917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).