(1R)-1-(1-ethylindol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol

C21H26N4O — CID 51872224

IUPAC(1R)-1-(1-ethylindol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol
SMILESCCn1cc([C@@H](O)CN2CCN(c3ccccn3)CC2)c2ccccc21
InChIInChI=1S/C21H26N4O/c1-2-24-15-18(17-7-3-4-8-19(17)24)20(26)16-23-11-13-25(14-12-23)21-9-5-6-10-22-21/h3-10,15,20,26H,2,11-14,16H2,1H3/t20-/m0/s1
InChIKeyXMMPPBURWNQZKV-FQEVSTJZSA-N
MW350.47 g/mol
LogP2.91
Rot. Bonds5

About (1R)-1-(1-ethylindol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol

(1R)-1-(1-ethylindol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol (PubChem CID 51872224) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is (1R)-1-(1-ethylindol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name(1R)-1-(1-ethylindol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol
PubChem CID51872224
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name(1R)-1-(1-ethylindol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol
SMILESCCn1cc([C@@H](O)CN2CCN(c3ccccn3)CC2)c2ccccc21
InChIInChI=1S/C21H26N4O/c1-2-24-15-18(17-7-3-4-8-19(17)24)20(26)16-23-11-13-25(14-12-23)21-9-5-6-10-22-21/h3-10,15,20,26H,2,11-14,16H2,1H3/t20-/m0/s1
InChIKeyXMMPPBURWNQZKV-FQEVSTJZSA-N
XLogP2.91
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-(1-ethylindol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol
CID 51872225
(1S)-1-(1-methylindol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol
CID 51587956
(1R)-1-(1-methylindol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol
CID 51872206
(1R)-1-(4-ethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol
CID 95104663
4-(benzimidazol-1-ylmethyl)-1-[2-(1-ethylindol-3-yl)-2-hydroxyethyl]piperidin-4-ol
CID 110223962
1-ethoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 3774471
2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol
CID 115872740
(2S)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine
CID 22689446
1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-amine
CID 43650423
1-propan-2-yloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 3863720
(2R)-1-(2,6-dimethylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 878689
6-[1-hydroxy-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3-methyl-1,3-benzoxazol-2-one
CID 10428214

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1-ethylindol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol?
The IUPAC name of (1R)-1-(1-ethylindol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol (CID 51872224) is (1R)-1-(1-ethylindol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol.
What is the SMILES notation for (1R)-1-(1-ethylindol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol?
The canonical SMILES for (1R)-1-(1-ethylindol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol is CCn1cc([C@@H](O)CN2CCN(c3ccccn3)CC2)c2ccccc21.
What is the InChIKey of (1R)-1-(1-ethylindol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol?
The InChIKey is XMMPPBURWNQZKV-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H26N4O/c1-2-24-15-18(17-7-3-4-8-19(17)24)20(26)16-23-11-13-25(14-12-23)21-9-5-6-10-22-21/h3-10,15,20,26H,2,11-14,16H2,1H3/t20-/m0/s1.
What are the key properties of (1R)-1-(1-ethylindol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol?
(1R)-1-(1-ethylindol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol has a molecular weight of 350.47 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1-ethylindol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol is sourced from PubChem (CID 51872224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).