2-[4-[2-amino-1-(1,2-dimethylindol-3-yl)ethyl]piperidin-1-yl]ethanol

C19H29N3O — CID 83976723

IUPAC2-[4-[2-amino-1-(1,2-dimethylindol-3-yl)ethyl]piperidin-1-yl]ethanol
SMILESCc1c(C(CN)C2CCN(CCO)CC2)c2ccccc2n1C
InChIInChI=1S/C19H29N3O/c1-14-19(16-5-3-4-6-18(16)21(14)2)17(13-20)15-7-9-22(10-8-15)11-12-23/h3-6,15,17,23H,7-13,20H2,1-2H3
InChIKeyQGQQFHUTRWVPCJ-UHFFFAOYSA-N
MW315.46 g/mol
LogP2.23
Rot. Bonds5

About 2-[4-[2-amino-1-(1,2-dimethylindol-3-yl)ethyl]piperidin-1-yl]ethanol

2-[4-[2-amino-1-(1,2-dimethylindol-3-yl)ethyl]piperidin-1-yl]ethanol (PubChem CID 83976723) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 2-[4-[2-amino-1-(1,2-dimethylindol-3-yl)ethyl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[2-amino-1-(1,2-dimethylindol-3-yl)ethyl]piperidin-1-yl]ethanol
PubChem CID83976723
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name2-[4-[2-amino-1-(1,2-dimethylindol-3-yl)ethyl]piperidin-1-yl]ethanol
SMILESCc1c(C(CN)C2CCN(CCO)CC2)c2ccccc2n1C
InChIInChI=1S/C19H29N3O/c1-14-19(16-5-3-4-6-18(16)21(14)2)17(13-20)15-7-9-22(10-8-15)11-12-23/h3-6,15,17,23H,7-13,20H2,1-2H3
InChIKeyQGQQFHUTRWVPCJ-UHFFFAOYSA-N
XLogP2.23
TPSA54.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-amino-1-(1,2-dimethylindol-3-yl)ethyl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-[2-amino-1-(1,2-dimethylindol-3-yl)ethyl]piperidin-1-yl]ethanol (CID 83976723) is 2-[4-[2-amino-1-(1,2-dimethylindol-3-yl)ethyl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[2-amino-1-(1,2-dimethylindol-3-yl)ethyl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[2-amino-1-(1,2-dimethylindol-3-yl)ethyl]piperidin-1-yl]ethanol is Cc1c(C(CN)C2CCN(CCO)CC2)c2ccccc2n1C.
What is the InChIKey of 2-[4-[2-amino-1-(1,2-dimethylindol-3-yl)ethyl]piperidin-1-yl]ethanol?
The InChIKey is QGQQFHUTRWVPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-14-19(16-5-3-4-6-18(16)21(14)2)17(13-20)15-7-9-22(10-8-15)11-12-23/h3-6,15,17,23H,7-13,20H2,1-2H3.
What are the key properties of 2-[4-[2-amino-1-(1,2-dimethylindol-3-yl)ethyl]piperidin-1-yl]ethanol?
2-[4-[2-amino-1-(1,2-dimethylindol-3-yl)ethyl]piperidin-1-yl]ethanol has a molecular weight of 315.46 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-amino-1-(1,2-dimethylindol-3-yl)ethyl]piperidin-1-yl]ethanol is sourced from PubChem (CID 83976723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).