2-[1-[[1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]ethanol

C20H27N5O — CID 45197580

IUPAC2-[1-[[1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]ethanol
SMILESCn1c(CN2CCCC(Cn3cc(CCO)nn3)C2)cc2ccccc21
InChIInChI=1S/C20H27N5O/c1-23-19(11-17-6-2-3-7-20(17)23)15-24-9-4-5-16(12-24)13-25-14-18(8-10-26)21-22-25/h2-3,6-7,11,14,16,26H,4-5,8-10,12-13,15H2,1H3
InChIKeyBEDBUWOWDWIWOR-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.22
Rot. Bonds6

About 2-[1-[[1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]ethanol

2-[1-[[1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]ethanol (PubChem CID 45197580) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-[1-[[1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[[1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]ethanol
PubChem CID45197580
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name2-[1-[[1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]ethanol
SMILESCn1c(CN2CCCC(Cn3cc(CCO)nn3)C2)cc2ccccc21
InChIInChI=1S/C20H27N5O/c1-23-19(11-17-6-2-3-7-20(17)23)15-24-9-4-5-16(12-24)13-25-14-18(8-10-26)21-22-25/h2-3,6-7,11,14,16,26H,4-5,8-10,12-13,15H2,1H3
InChIKeyBEDBUWOWDWIWOR-UHFFFAOYSA-N
XLogP2.22
TPSA59.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]ethanol?
The IUPAC name of 2-[1-[[1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]ethanol (CID 45197580) is 2-[1-[[1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-[[1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]ethanol?
The canonical SMILES for 2-[1-[[1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]ethanol is Cn1c(CN2CCCC(Cn3cc(CCO)nn3)C2)cc2ccccc21.
What is the InChIKey of 2-[1-[[1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]ethanol?
The InChIKey is BEDBUWOWDWIWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-23-19(11-17-6-2-3-7-20(17)23)15-24-9-4-5-16(12-24)13-25-14-18(8-10-26)21-22-25/h2-3,6-7,11,14,16,26H,4-5,8-10,12-13,15H2,1H3.
What are the key properties of 2-[1-[[1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]ethanol?
2-[1-[[1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]ethanol has a molecular weight of 353.47 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]ethanol is sourced from PubChem (CID 45197580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).