2-[1-(2-hydroxy-3-piperidin-1-ylpropyl)indol-3-yl]acetic acid

C18H24N2O3 — CID 118726280

IUPAC2-[1-(2-hydroxy-3-piperidin-1-ylpropyl)indol-3-yl]acetic acid
SMILESO=C(O)Cc1cn(CC(O)CN2CCCCC2)c2ccccc12
InChIInChI=1S/C18H24N2O3/c21-15(12-19-8-4-1-5-9-19)13-20-11-14(10-18(22)23)16-6-2-3-7-17(16)20/h2-3,6-7,11,15,21H,1,4-5,8-10,12-13H2,(H,22,23)
InChIKeyHNOLYVYDGDGIDD-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.12
Rot. Bonds6

About 2-[1-(2-hydroxy-3-piperidin-1-ylpropyl)indol-3-yl]acetic acid

2-[1-(2-hydroxy-3-piperidin-1-ylpropyl)indol-3-yl]acetic acid (PubChem CID 118726280) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-[1-(2-hydroxy-3-piperidin-1-ylpropyl)indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-hydroxy-3-piperidin-1-ylpropyl)indol-3-yl]acetic acid
PubChem CID118726280
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name2-[1-(2-hydroxy-3-piperidin-1-ylpropyl)indol-3-yl]acetic acid
SMILESO=C(O)Cc1cn(CC(O)CN2CCCCC2)c2ccccc12
InChIInChI=1S/C18H24N2O3/c21-15(12-19-8-4-1-5-9-19)13-20-11-14(10-18(22)23)16-6-2-3-7-17(16)20/h2-3,6-7,11,15,21H,1,4-5,8-10,12-13H2,(H,22,23)
InChIKeyHNOLYVYDGDGIDD-UHFFFAOYSA-N
XLogP2.12
TPSA65.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-piperidin-1-ylethyl)indol-3-yl]acetic acid
CID 28783033
2-[1-(3-pyrrolidin-1-ylpropyl)indol-3-yl]acetic acid
CID 61493986
acetic acid;2-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]acetic acid
CID 46736509
3-[1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]-1-phenylprop-2-en-1-one
CID 4889673
1-(azepan-1-yl)-3-carbazol-9-ylpropan-2-ol;furan-2-carboxylic acid
CID 21203909
2-(1-but-3-ynylindol-3-yl)acetic acid
CID 63655086
2-[1-[(2-chlorophenyl)methyl]indol-3-yl]acetic acid
CID 28599809
2-[1-(3-methylbut-2-enyl)indol-3-yl]acetic acid
CID 28599761
(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3-[3-(hydroxymethyl)indol-1-yl]propan-2-ol
CID 42223809
(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-3-[3-(hydroxymethyl)indol-1-yl]propan-2-ol
CID 42223805
2-[1-(3-cyanopropyl)indol-3-yl]acetic acid
CID 28599811
4-chloro-10-(2-hydroxy-3-pyrrolidin-1-ylpropyl)acridin-9-one
CID 46906417

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxy-3-piperidin-1-ylpropyl)indol-3-yl]acetic acid?
The IUPAC name of 2-[1-(2-hydroxy-3-piperidin-1-ylpropyl)indol-3-yl]acetic acid (CID 118726280) is 2-[1-(2-hydroxy-3-piperidin-1-ylpropyl)indol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-hydroxy-3-piperidin-1-ylpropyl)indol-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2-hydroxy-3-piperidin-1-ylpropyl)indol-3-yl]acetic acid is O=C(O)Cc1cn(CC(O)CN2CCCCC2)c2ccccc12.
What is the InChIKey of 2-[1-(2-hydroxy-3-piperidin-1-ylpropyl)indol-3-yl]acetic acid?
The InChIKey is HNOLYVYDGDGIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c21-15(12-19-8-4-1-5-9-19)13-20-11-14(10-18(22)23)16-6-2-3-7-17(16)20/h2-3,6-7,11,15,21H,1,4-5,8-10,12-13H2,(H,22,23).
What are the key properties of 2-[1-(2-hydroxy-3-piperidin-1-ylpropyl)indol-3-yl]acetic acid?
2-[1-(2-hydroxy-3-piperidin-1-ylpropyl)indol-3-yl]acetic acid has a molecular weight of 316.40 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxy-3-piperidin-1-ylpropyl)indol-3-yl]acetic acid is sourced from PubChem (CID 118726280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).