(2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2,3,5-trimethylindol-1-yl)propan-2-ol

C20H31N3O2 — CID 1089151

IUPAC(2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
SMILESCc1ccc2c(c1)c(C)c(C)n2C[C@H](O)CN1CCN(CCO)CC1
InChIInChI=1S/C20H31N3O2/c1-15-4-5-20-19(12-15)16(2)17(3)23(20)14-18(25)13-22-8-6-21(7-9-22)10-11-24/h4-5,12,18,24-25H,6-11,13-14H2,1-3H3/t18-/m1/s1
InChIKeyZZLBEVSEZMEJBB-GOSISDBHSA-N
MW345.49 g/mol
LogP1.54
Rot. Bonds6

About (2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2,3,5-trimethylindol-1-yl)propan-2-ol

(2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2,3,5-trimethylindol-1-yl)propan-2-ol (PubChem CID 1089151) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is (2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2,3,5-trimethylindol-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
PubChem CID1089151
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name(2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
SMILESCc1ccc2c(c1)c(C)c(C)n2C[C@H](O)CN1CCN(CCO)CC1
InChIInChI=1S/C20H31N3O2/c1-15-4-5-20-19(12-15)16(2)17(3)23(20)14-18(25)13-22-8-6-21(7-9-22)10-11-24/h4-5,12,18,24-25H,6-11,13-14H2,1-3H3/t18-/m1/s1
InChIKeyZZLBEVSEZMEJBB-GOSISDBHSA-N
XLogP1.54
TPSA51.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
CID 1089152
1-piperidin-1-yl-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
CID 5235423
1-(2,3-dimethylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
CID 3151627
hydron;1-morpholin-4-yl-3-(2,3,5-trimethylindol-1-yl)propan-2-ol;chloride
CID 648761
1-(5-fluoro-2,3-dimethylindol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 17028209
1-[bis(2-hydroxyethyl)amino]-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
CID 17028427
1-morpholin-4-yl-3-(2,3,6-trimethylindol-1-yl)propan-2-ol
CID 167588566
(2R)-1-carbazol-9-yl-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
CID 7111367
(2R)-1-(cyclopentylamino)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
CID 35583838
1-(2,3-dimethylindol-1-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 2896531
1-(5,7-dimethyl-2,3-diphenylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;hydrochloride
CID 18558845
(2R)-1-(4-methylpiperidin-1-yl)-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
CID 961698

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2,3,5-trimethylindol-1-yl)propan-2-ol?
The IUPAC name of (2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2,3,5-trimethylindol-1-yl)propan-2-ol (CID 1089151) is (2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2,3,5-trimethylindol-1-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2,3,5-trimethylindol-1-yl)propan-2-ol?
The canonical SMILES for (2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2,3,5-trimethylindol-1-yl)propan-2-ol is Cc1ccc2c(c1)c(C)c(C)n2C[C@H](O)CN1CCN(CCO)CC1.
What is the InChIKey of (2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2,3,5-trimethylindol-1-yl)propan-2-ol?
The InChIKey is ZZLBEVSEZMEJBB-GOSISDBHSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-15-4-5-20-19(12-15)16(2)17(3)23(20)14-18(25)13-22-8-6-21(7-9-22)10-11-24/h4-5,12,18,24-25H,6-11,13-14H2,1-3H3/t18-/m1/s1.
What are the key properties of (2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2,3,5-trimethylindol-1-yl)propan-2-ol?
(2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2,3,5-trimethylindol-1-yl)propan-2-ol has a molecular weight of 345.49 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2,3,5-trimethylindol-1-yl)propan-2-ol is sourced from PubChem (CID 1089151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).