(1S)-1-(1-methylindol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol

C20H24N4O — CID 51587956

IUPAC(1S)-1-(1-methylindol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol
SMILESCn1cc([C@H](O)CN2CCN(c3ccccn3)CC2)c2ccccc21
InChIInChI=1S/C20H24N4O/c1-22-14-17(16-6-2-3-7-18(16)22)19(25)15-23-10-12-24(13-11-23)20-8-4-5-9-21-20/h2-9,14,19,25H,10-13,15H2,1H3/t19-/m1/s1
InChIKeyYAQRESSNTZIOAU-LJQANCHMSA-N
MW336.44 g/mol
LogP2.43
Rot. Bonds4

About (1S)-1-(1-methylindol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol

(1S)-1-(1-methylindol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol (PubChem CID 51587956) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is (1S)-1-(1-methylindol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-(1-methylindol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol
PubChem CID51587956
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name(1S)-1-(1-methylindol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol
SMILESCn1cc([C@H](O)CN2CCN(c3ccccn3)CC2)c2ccccc21
InChIInChI=1S/C20H24N4O/c1-22-14-17(16-6-2-3-7-18(16)22)19(25)15-23-10-12-24(13-11-23)20-8-4-5-9-21-20/h2-9,14,19,25H,10-13,15H2,1H3/t19-/m1/s1
InChIKeyYAQRESSNTZIOAU-LJQANCHMSA-N
XLogP2.43
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-(1-methylindol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol
CID 51872206
(1R)-1-(1-ethylindol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol
CID 51872224
(1S)-1-(1-ethylindol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol
CID 51872225
(1R)-1-(4-ethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol
CID 95104663
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
6-[1-hydroxy-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3-methyl-1,3-benzoxazol-2-one
CID 10428214
1-ethoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 3774471
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
1-(1-methylindol-3-yl)-2-sulfanylethanol
CID 116830001
3-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-amine
CID 80544367

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1-methylindol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol?
The IUPAC name of (1S)-1-(1-methylindol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol (CID 51587956) is (1S)-1-(1-methylindol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol.
What is the SMILES notation for (1S)-1-(1-methylindol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol?
The canonical SMILES for (1S)-1-(1-methylindol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol is Cn1cc([C@H](O)CN2CCN(c3ccccn3)CC2)c2ccccc21.
What is the InChIKey of (1S)-1-(1-methylindol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol?
The InChIKey is YAQRESSNTZIOAU-LJQANCHMSA-N. The full InChI is InChI=1S/C20H24N4O/c1-22-14-17(16-6-2-3-7-18(16)22)19(25)15-23-10-12-24(13-11-23)20-8-4-5-9-21-20/h2-9,14,19,25H,10-13,15H2,1H3/t19-/m1/s1.
What are the key properties of (1S)-1-(1-methylindol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol?
(1S)-1-(1-methylindol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol has a molecular weight of 336.44 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1-methylindol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol is sourced from PubChem (CID 51587956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).