5-fluoro-3-(1-propan-2-ylpiperidin-4-yl)-5,6-dihydro-1H-indole

C16H23FN2 — CID 123995432

IUPAC5-fluoro-3-(1-propan-2-ylpiperidin-4-yl)-5,6-dihydro-1H-indole
SMILESCC(C)N1CCC(c2c[nH]c3c2=CC(F)CC=3)CC1
InChIInChI=1S/C16H23FN2/c1-11(2)19-7-5-12(6-8-19)15-10-18-16-4-3-13(17)9-14(15)16/h4,9-13,18H,3,5-8H2,1-2H3
InChIKeyQASOGMOOEWKKPI-UHFFFAOYSA-N
MW262.37 g/mol
LogP1.91
Rot. Bonds2

About 5-fluoro-3-(1-propan-2-ylpiperidin-4-yl)-5,6-dihydro-1H-indole

5-fluoro-3-(1-propan-2-ylpiperidin-4-yl)-5,6-dihydro-1H-indole (PubChem CID 123995432) has the molecular formula C16H23FN2 and a molecular weight of 262.37 g/mol. Its IUPAC name is 5-fluoro-3-(1-propan-2-ylpiperidin-4-yl)-5,6-dihydro-1H-indole.

Molecular Properties

Compound Name5-fluoro-3-(1-propan-2-ylpiperidin-4-yl)-5,6-dihydro-1H-indole
PubChem CID123995432
Molecular FormulaC16H23FN2
Molecular Weight262.37 g/mol
Exact Mass262.18
IUPAC Name5-fluoro-3-(1-propan-2-ylpiperidin-4-yl)-5,6-dihydro-1H-indole
SMILESCC(C)N1CCC(c2c[nH]c3c2=CC(F)CC=3)CC1
InChIInChI=1S/C16H23FN2/c1-11(2)19-7-5-12(6-8-19)15-10-18-16-4-3-13(17)9-14(15)16/h4,9-13,18H,3,5-8H2,1-2H3
InChIKeyQASOGMOOEWKKPI-UHFFFAOYSA-N
XLogP1.91
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(Fluoromethyl)piperidin-4-yl]-1,2-dihydropyridine
CID 69107961
5-fluoro-3-[(1-methylpiperidin-4-yl)methyl]-3a,7a-dihydro-1H-indole
CID 70921115
N-[(5Z,6E)-3-[(E)-6-amino-6-fluoro-5-methylhex-5-en-3-yl]-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085395
N-[(5Z,6E)-6-(aminomethylidene)-3-[5-(fluoromethyl)-1,2,3,4-tetrahydropyridin-3-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085543
N-[(5Z,6E)-3-[(Z)-2-amino-1,1-difluorohept-2-en-4-yl]-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085563
1-[4-(6-fluoro-5,6-dihydro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 123144780
5-fluoro-2-[1-(6-methylpiperidin-3-yl)ethylidene]-1H-pyridine
CID 123278977
4-[4-(3-Fluoro-3-methylpyrrolidin-1-yl)penta-2,4-dien-2-yl]piperidine
CID 123309603
5-fluoro-3-[1-[3-[(E)-2-methylhex-3-en-3-yl]-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-1-yl]ethyl]-1,2-dihydropyridine
CID 130389473
[2-Ethyl-6-(2-fluoro-1,2-dihydropyridin-5-yl)-1-methyl-2,3,6,7-tetrahydroindol-3-yl]methanamine
CID 134581918
N-(cyclohexylmethyl)-2-(3-fluoro-5,6,7,7a-tetrahydro-1H-indol-6-yl)-N-methylethanamine
CID 141139585
3-[1-(3-Cyclopropylprop-1-en-2-yl)piperidin-4-yl]-6-fluoro-3a-methyl-1,4-dihydroindole
CID 144855128

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(1-propan-2-ylpiperidin-4-yl)-5,6-dihydro-1H-indole?
The IUPAC name of 5-fluoro-3-(1-propan-2-ylpiperidin-4-yl)-5,6-dihydro-1H-indole (CID 123995432) is 5-fluoro-3-(1-propan-2-ylpiperidin-4-yl)-5,6-dihydro-1H-indole.
What is the SMILES notation for 5-fluoro-3-(1-propan-2-ylpiperidin-4-yl)-5,6-dihydro-1H-indole?
The canonical SMILES for 5-fluoro-3-(1-propan-2-ylpiperidin-4-yl)-5,6-dihydro-1H-indole is CC(C)N1CCC(c2c[nH]c3c2=CC(F)CC=3)CC1.
What is the InChIKey of 5-fluoro-3-(1-propan-2-ylpiperidin-4-yl)-5,6-dihydro-1H-indole?
The InChIKey is QASOGMOOEWKKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2/c1-11(2)19-7-5-12(6-8-19)15-10-18-16-4-3-13(17)9-14(15)16/h4,9-13,18H,3,5-8H2,1-2H3.
What are the key properties of 5-fluoro-3-(1-propan-2-ylpiperidin-4-yl)-5,6-dihydro-1H-indole?
5-fluoro-3-(1-propan-2-ylpiperidin-4-yl)-5,6-dihydro-1H-indole has a molecular weight of 262.37 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(1-propan-2-ylpiperidin-4-yl)-5,6-dihydro-1H-indole is sourced from PubChem (CID 123995432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).