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

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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).