4-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]but-2-en-2-ol

C18H24N2O — CID 67754574

IUPAC4-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]but-2-en-2-ol
SMILESCC(O)=CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1
InChIInChI=1S/C18H24N2O/c1-13(21)3-4-14-5-6-18-16(11-14)17(12-19-18)15-7-9-20(2)10-8-15/h3,5-6,11-12,15,19,21H,4,7-10H2,1-2H3
InChIKeyVUEKYNGLOVIXAK-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.98
Rot. Bonds3

About 4-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]but-2-en-2-ol

4-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]but-2-en-2-ol (PubChem CID 67754574) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]but-2-en-2-ol.

Molecular Properties

Compound Name4-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]but-2-en-2-ol
PubChem CID67754574
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name4-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]but-2-en-2-ol
SMILESCC(O)=CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1
InChIInChI=1S/C18H24N2O/c1-13(21)3-4-14-5-6-18-16(11-14)17(12-19-18)15-7-9-20(2)10-8-15/h3,5-6,11-12,15,19,21H,4,7-10H2,1-2H3
InChIKeyVUEKYNGLOVIXAK-UHFFFAOYSA-N
XLogP3.98
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]pentan-3-one
CID 19971007
N-[2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethylsulfanyl]methanamine
CID 134534889
5-bromo-3-(1-methylpiperidin-4-yl)-1H-indole
CID 15745344
5-[2-(benzenesulfonyl)ethyl]-3-(1-methylpiperidin-4-yl)-1H-indole
CID 71179499
3-(1-methylpiperidin-4-yl)-1H-indol-5-amine;dihydrochloride
CID 22611495
N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide
CID 4440
N-[2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethyl]methanesulfonamide;hydrochloride
CID 19817120
3-(1-methylpiperidin-4-yl)-1H-indole-5-carboxamide
CID 19987271
4-[[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;hydrobromide
CID 70195086
but-2-enedioic acid;N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]propanamide
CID 70104762
3-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-N-sulfanylperoxypropan-1-amine;hydrochloride
CID 159347443
3-(1-methylpiperidin-4-yl)-1H-indole;dihydrochloride
CID 174560357

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]but-2-en-2-ol?
The IUPAC name of 4-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]but-2-en-2-ol (CID 67754574) is 4-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]but-2-en-2-ol.
What is the SMILES notation for 4-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]but-2-en-2-ol?
The canonical SMILES for 4-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]but-2-en-2-ol is CC(O)=CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1.
What is the InChIKey of 4-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]but-2-en-2-ol?
The InChIKey is VUEKYNGLOVIXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-13(21)3-4-14-5-6-18-16(11-14)17(12-19-18)15-7-9-20(2)10-8-15/h3,5-6,11-12,15,19,21H,4,7-10H2,1-2H3.
What are the key properties of 4-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]but-2-en-2-ol?
4-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]but-2-en-2-ol has a molecular weight of 284.40 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]but-2-en-2-ol is sourced from PubChem (CID 67754574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).