(5-bromo-1H-indol-3-yl)-piperidin-3-ylmethanol

C14H17BrN2O — CID 43152058

IUPAC(5-bromo-1H-indol-3-yl)-piperidin-3-ylmethanol
SMILESOC(c1c[nH]c2ccc(Br)cc12)C1CCCNC1
InChIInChI=1S/C14H17BrN2O/c15-10-3-4-13-11(6-10)12(8-17-13)14(18)9-2-1-5-16-7-9/h3-4,6,8-9,14,16-18H,1-2,5,7H2
InChIKeyLBZICHVSNZMMLX-UHFFFAOYSA-N
MW309.21 g/mol
LogP2.96
Rot. Bonds2

About (5-bromo-1H-indol-3-yl)-piperidin-3-ylmethanol

(5-bromo-1H-indol-3-yl)-piperidin-3-ylmethanol (PubChem CID 43152058) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is (5-bromo-1H-indol-3-yl)-piperidin-3-ylmethanol.

Molecular Properties

Compound Name(5-bromo-1H-indol-3-yl)-piperidin-3-ylmethanol
PubChem CID43152058
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name(5-bromo-1H-indol-3-yl)-piperidin-3-ylmethanol
SMILESOC(c1c[nH]c2ccc(Br)cc12)C1CCCNC1
InChIInChI=1S/C14H17BrN2O/c15-10-3-4-13-11(6-10)12(8-17-13)14(18)9-2-1-5-16-7-9/h3-4,6,8-9,14,16-18H,1-2,5,7H2
InChIKeyLBZICHVSNZMMLX-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(5-nitro-1H-indol-3-yl)-piperidin-3-ylmethanol
CID 43329878
(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-piperidin-3-ylmethanol
CID 106884964
piperidin-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanol
CID 102626838
(S)-(5-bromo-1H-indol-3-yl)-cyclobutylmethanamine
CID 95431608
5-bromo-3-[(R)-cyclobutyl(piperazin-1-yl)methyl]-1H-indole;dihydrochloride
CID 171290946
(4-methoxy-1H-indol-3-yl)-piperidin-3-ylmethanol
CID 83162965
5-bromo-3-[(3R)-pyrrolidin-3-yl]-1H-indole
CID 95432462
(5-bromo-2-methylphenyl)-pyrrolidin-3-ylmethanol
CID 83693932
(1R)-1-(5-bromo-1H-indol-3-yl)-2-cyclopropylethanamine;hydrochloride
CID 171206288
2-(5-bromo-1H-indol-3-yl)-2-hydroxyacetic acid
CID 115073394
3-[(5-bromo-1H-indol-3-yl)methyl]piperidin-4-ol
CID 84645179
(4-fluoro-2-methylphenyl)-piperidin-3-ylmethanol
CID 80560290

Frequently Asked Questions

What is the IUPAC name of (5-bromo-1H-indol-3-yl)-piperidin-3-ylmethanol?
The IUPAC name of (5-bromo-1H-indol-3-yl)-piperidin-3-ylmethanol (CID 43152058) is (5-bromo-1H-indol-3-yl)-piperidin-3-ylmethanol.
What is the SMILES notation for (5-bromo-1H-indol-3-yl)-piperidin-3-ylmethanol?
The canonical SMILES for (5-bromo-1H-indol-3-yl)-piperidin-3-ylmethanol is OC(c1c[nH]c2ccc(Br)cc12)C1CCCNC1.
What is the InChIKey of (5-bromo-1H-indol-3-yl)-piperidin-3-ylmethanol?
The InChIKey is LBZICHVSNZMMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c15-10-3-4-13-11(6-10)12(8-17-13)14(18)9-2-1-5-16-7-9/h3-4,6,8-9,14,16-18H,1-2,5,7H2.
What are the key properties of (5-bromo-1H-indol-3-yl)-piperidin-3-ylmethanol?
(5-bromo-1H-indol-3-yl)-piperidin-3-ylmethanol has a molecular weight of 309.21 g/mol, XLogP of 2.96, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1H-indol-3-yl)-piperidin-3-ylmethanol is sourced from PubChem (CID 43152058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).