3-[(5-bromo-1H-indol-3-yl)methyl]piperidin-4-ol

C14H17BrN2O — CID 84645179

IUPAC3-[(5-bromo-1H-indol-3-yl)methyl]piperidin-4-ol
SMILESOC1CCNCC1Cc1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C14H17BrN2O/c15-11-1-2-13-12(6-11)9(8-17-13)5-10-7-16-4-3-14(10)18/h1-2,6,8,10,14,16-18H,3-5,7H2
InChIKeyRAEFRWWUPOWKKC-UHFFFAOYSA-N
MW309.21 g/mol
LogP2.44
Rot. Bonds2

About 3-[(5-bromo-1H-indol-3-yl)methyl]piperidin-4-ol

3-[(5-bromo-1H-indol-3-yl)methyl]piperidin-4-ol (PubChem CID 84645179) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is 3-[(5-bromo-1H-indol-3-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name3-[(5-bromo-1H-indol-3-yl)methyl]piperidin-4-ol
PubChem CID84645179
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name3-[(5-bromo-1H-indol-3-yl)methyl]piperidin-4-ol
SMILESOC1CCNCC1Cc1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C14H17BrN2O/c15-11-1-2-13-12(6-11)9(8-17-13)5-10-7-16-4-3-14(10)18/h1-2,6,8,10,14,16-18H,3-5,7H2
InChIKeyRAEFRWWUPOWKKC-UHFFFAOYSA-N
XLogP2.44
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-1H-indol-3-yl)methyl]piperidin-4-ol?
The IUPAC name of 3-[(5-bromo-1H-indol-3-yl)methyl]piperidin-4-ol (CID 84645179) is 3-[(5-bromo-1H-indol-3-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 3-[(5-bromo-1H-indol-3-yl)methyl]piperidin-4-ol?
The canonical SMILES for 3-[(5-bromo-1H-indol-3-yl)methyl]piperidin-4-ol is OC1CCNCC1Cc1c[nH]c2ccc(Br)cc12.
What is the InChIKey of 3-[(5-bromo-1H-indol-3-yl)methyl]piperidin-4-ol?
The InChIKey is RAEFRWWUPOWKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c15-11-1-2-13-12(6-11)9(8-17-13)5-10-7-16-4-3-14(10)18/h1-2,6,8,10,14,16-18H,3-5,7H2.
What are the key properties of 3-[(5-bromo-1H-indol-3-yl)methyl]piperidin-4-ol?
3-[(5-bromo-1H-indol-3-yl)methyl]piperidin-4-ol has a molecular weight of 309.21 g/mol, XLogP of 2.44, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-1H-indol-3-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 84645179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).