6-fluoro-2-(1-methylpiperidin-4-yl)-1H-indole;hydrobromide

C14H18BrFN2 — CID 18797198

IUPAC6-fluoro-2-(1-methylpiperidin-4-yl)-1H-indole;hydrobromide
SMILESBr.CN1CCC(c2cc3ccc(F)cc3[nH]2)CC1
InChIInChI=1S/C14H17FN2.BrH/c1-17-6-4-10(5-7-17)13-8-11-2-3-12(15)9-14(11)16-13;/h2-3,8-10,16H,4-7H2,1H3;1H
InChIKeyPPJORFDSSBVEDP-UHFFFAOYSA-N
MW313.21 g/mol
LogP3.69
Rot. Bonds1

About 6-fluoro-2-(1-methylpiperidin-4-yl)-1H-indole;hydrobromide

6-fluoro-2-(1-methylpiperidin-4-yl)-1H-indole;hydrobromide (PubChem CID 18797198) has the molecular formula C14H18BrFN2 and a molecular weight of 313.21 g/mol. Its IUPAC name is 6-fluoro-2-(1-methylpiperidin-4-yl)-1H-indole;hydrobromide.

Molecular Properties

Compound Name6-fluoro-2-(1-methylpiperidin-4-yl)-1H-indole;hydrobromide
PubChem CID18797198
Molecular FormulaC14H18BrFN2
Molecular Weight313.21 g/mol
Exact Mass312.06
IUPAC Name6-fluoro-2-(1-methylpiperidin-4-yl)-1H-indole;hydrobromide
SMILESBr.CN1CCC(c2cc3ccc(F)cc3[nH]2)CC1
InChIInChI=1S/C14H17FN2.BrH/c1-17-6-4-10(5-7-17)13-8-11-2-3-12(15)9-14(11)16-13;/h2-3,8-10,16H,4-7H2,1H3;1H
InChIKeyPPJORFDSSBVEDP-UHFFFAOYSA-N
XLogP3.69
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.21
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(1-methylpiperidin-4-yl)-1H-indole;hydrobromide?
The IUPAC name of 6-fluoro-2-(1-methylpiperidin-4-yl)-1H-indole;hydrobromide (CID 18797198) is 6-fluoro-2-(1-methylpiperidin-4-yl)-1H-indole;hydrobromide.
What is the SMILES notation for 6-fluoro-2-(1-methylpiperidin-4-yl)-1H-indole;hydrobromide?
The canonical SMILES for 6-fluoro-2-(1-methylpiperidin-4-yl)-1H-indole;hydrobromide is Br.CN1CCC(c2cc3ccc(F)cc3[nH]2)CC1.
What is the InChIKey of 6-fluoro-2-(1-methylpiperidin-4-yl)-1H-indole;hydrobromide?
The InChIKey is PPJORFDSSBVEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2.BrH/c1-17-6-4-10(5-7-17)13-8-11-2-3-12(15)9-14(11)16-13;/h2-3,8-10,16H,4-7H2,1H3;1H.
What are the key properties of 6-fluoro-2-(1-methylpiperidin-4-yl)-1H-indole;hydrobromide?
6-fluoro-2-(1-methylpiperidin-4-yl)-1H-indole;hydrobromide has a molecular weight of 313.21 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(1-methylpiperidin-4-yl)-1H-indole;hydrobromide is sourced from PubChem (CID 18797198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).