3-[(4-hydroxypiperidin-1-yl)methyl]-1-propan-2-ylindole-2-carboxylic acid

C18H24N2O3 — CID 68966812

IUPAC3-[(4-hydroxypiperidin-1-yl)methyl]-1-propan-2-ylindole-2-carboxylic acid
SMILESCC(C)n1c(C(=O)O)c(CN2CCC(O)CC2)c2ccccc21
InChIInChI=1S/C18H24N2O3/c1-12(2)20-16-6-4-3-5-14(16)15(17(20)18(22)23)11-19-9-7-13(21)8-10-19/h3-6,12-13,21H,7-11H2,1-2H3,(H,22,23)
InChIKeyRFONXQUVPPWJNI-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.88
Rot. Bonds4

About 3-[(4-hydroxypiperidin-1-yl)methyl]-1-propan-2-ylindole-2-carboxylic acid

3-[(4-hydroxypiperidin-1-yl)methyl]-1-propan-2-ylindole-2-carboxylic acid (PubChem CID 68966812) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-[(4-hydroxypiperidin-1-yl)methyl]-1-propan-2-ylindole-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-hydroxypiperidin-1-yl)methyl]-1-propan-2-ylindole-2-carboxylic acid
PubChem CID68966812
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name3-[(4-hydroxypiperidin-1-yl)methyl]-1-propan-2-ylindole-2-carboxylic acid
SMILESCC(C)n1c(C(=O)O)c(CN2CCC(O)CC2)c2ccccc21
InChIInChI=1S/C18H24N2O3/c1-12(2)20-16-6-4-3-5-14(16)15(17(20)18(22)23)11-19-9-7-13(21)8-10-19/h3-6,12-13,21H,7-11H2,1-2H3,(H,22,23)
InChIKeyRFONXQUVPPWJNI-UHFFFAOYSA-N
XLogP2.88
TPSA65.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-hydroxypiperidin-1-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
CID 77094843
2-[(4-hydroxypiperidin-1-yl)methyl]-1-benzofuran-3-carboxylic acid
CID 62273423
3-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-1-methylindole-2-carboxamide
CID 111429528
1-(1-benzylpiperidin-4-yl)ethanone
CID 910923
N-butan-2-yl-1-[(1-ethyl-2-methylindol-3-yl)methyl]piperidine-4-carboxamide
CID 53036243
1-[(2-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]piperidin-4-ol
CID 95857721
1-bromo-3-ethylindole-2-carboxylic acid
CID 175183160
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 111520289
(3S,4S)-3-hydroxy-1-[(2-propan-2-yloxynaphthalen-1-yl)methyl]piperidine-4-carboxylic acid
CID 135111768
5-[(4-hydroxypiperidin-1-yl)methyl]-N-[1-(1-methylindol-3-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 56745348
1-[(2-fluorophenyl)methyl]piperidin-4-ol
CID 10242192
3-[(4-methylpiperidin-1-yl)methyl]-1-benzofuran-2-carboxylic acid
CID 28943269

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxypiperidin-1-yl)methyl]-1-propan-2-ylindole-2-carboxylic acid?
The IUPAC name of 3-[(4-hydroxypiperidin-1-yl)methyl]-1-propan-2-ylindole-2-carboxylic acid (CID 68966812) is 3-[(4-hydroxypiperidin-1-yl)methyl]-1-propan-2-ylindole-2-carboxylic acid.
What is the SMILES notation for 3-[(4-hydroxypiperidin-1-yl)methyl]-1-propan-2-ylindole-2-carboxylic acid?
The canonical SMILES for 3-[(4-hydroxypiperidin-1-yl)methyl]-1-propan-2-ylindole-2-carboxylic acid is CC(C)n1c(C(=O)O)c(CN2CCC(O)CC2)c2ccccc21.
What is the InChIKey of 3-[(4-hydroxypiperidin-1-yl)methyl]-1-propan-2-ylindole-2-carboxylic acid?
The InChIKey is RFONXQUVPPWJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-12(2)20-16-6-4-3-5-14(16)15(17(20)18(22)23)11-19-9-7-13(21)8-10-19/h3-6,12-13,21H,7-11H2,1-2H3,(H,22,23).
What are the key properties of 3-[(4-hydroxypiperidin-1-yl)methyl]-1-propan-2-ylindole-2-carboxylic acid?
3-[(4-hydroxypiperidin-1-yl)methyl]-1-propan-2-ylindole-2-carboxylic acid has a molecular weight of 316.40 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxypiperidin-1-yl)methyl]-1-propan-2-ylindole-2-carboxylic acid is sourced from PubChem (CID 68966812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).