1-[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride

C17H27ClFN3 — CID 120858326

IUPAC1-[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride
SMILESCC(C)(N)CN1CCC(N2CCc3cc(F)ccc32)CC1.Cl
InChIInChI=1S/C17H26FN3.ClH/c1-17(2,19)12-20-8-6-15(7-9-20)21-10-5-13-11-14(18)3-4-16(13)21;/h3-4,11,15H,5-10,12,19H2,1-2H3;1H
InChIKeyOWQZOWWRCIBSTN-UHFFFAOYSA-N
MW327.88 g/mol
LogP2.81
Rot. Bonds3

About 1-[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride

1-[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride (PubChem CID 120858326) has the molecular formula C17H27ClFN3 and a molecular weight of 327.88 g/mol. Its IUPAC name is 1-[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride
PubChem CID120858326
Molecular FormulaC17H27ClFN3
Molecular Weight327.88 g/mol
Exact Mass327.19
IUPAC Name1-[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride
SMILESCC(C)(N)CN1CCC(N2CCc3cc(F)ccc32)CC1.Cl
InChIInChI=1S/C17H26FN3.ClH/c1-17(2,19)12-20-8-6-15(7-9-20)21-10-5-13-11-14(18)3-4-16(13)21;/h3-4,11,15H,5-10,12,19H2,1-2H3;1H
InChIKeyOWQZOWWRCIBSTN-UHFFFAOYSA-N
XLogP2.81
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.88
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride with MolForge

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Related Compounds

1-(5-fluoro-2,3-dihydroindol-1-yl)-2-methylpropan-2-amine
CID 120847632
1-(4-cyclopropyl-6-fluoro-2,3-dihydroquinoxalin-1-yl)-2-methylpropan-2-amine
CID 120856059
5-fluoro-1-piperidin-4-yl-2,3-dihydroindole
CID 67417842
4-[[[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020504
2-(1-cyclopentyl-2,3-dihydroindol-5-yl)propan-2-ol
CID 115115348
1-[1-[2-(3,5-difluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole
CID 22037972
5-(2,5-difluorophenyl)sulfonyl-1-(1-propan-2-ylpiperidin-4-yl)-2,3-dihydroindole;hydrochloride
CID 11641098
1-[4-(2,6-difluorophenyl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride
CID 120851606
6-[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile
CID 128849899
1-(7-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methylpropan-2-amine
CID 120848726
(1-cyclopentyl-2,3-dihydroindol-5-yl)methanamine
CID 115115353
ethane;1-(1-ethylpiperidin-4-yl)-2,3-dihydroindole;vanadium
CID 161158486

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride?
The IUPAC name of 1-[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride (CID 120858326) is 1-[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride.
What is the SMILES notation for 1-[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride?
The canonical SMILES for 1-[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride is CC(C)(N)CN1CCC(N2CCc3cc(F)ccc32)CC1.Cl.
What is the InChIKey of 1-[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride?
The InChIKey is OWQZOWWRCIBSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3.ClH/c1-17(2,19)12-20-8-6-15(7-9-20)21-10-5-13-11-14(18)3-4-16(13)21;/h3-4,11,15H,5-10,12,19H2,1-2H3;1H.
What are the key properties of 1-[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride?
1-[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride has a molecular weight of 327.88 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride is sourced from PubChem (CID 120858326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).