5-ethoxy-3-methyl-2-piperidin-4-yl-1H-indole

C16H22N2O — CID 84637292

IUPAC5-ethoxy-3-methyl-2-piperidin-4-yl-1H-indole
SMILESCCOc1ccc2[nH]c(C3CCNCC3)c(C)c2c1
InChIInChI=1S/C16H22N2O/c1-3-19-13-4-5-15-14(10-13)11(2)16(18-15)12-6-8-17-9-7-12/h4-5,10,12,17-18H,3,6-9H2,1-2H3
InChIKeyNAHFLFNGNZJMAQ-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.34
Rot. Bonds3

About 5-ethoxy-3-methyl-2-piperidin-4-yl-1H-indole

5-ethoxy-3-methyl-2-piperidin-4-yl-1H-indole (PubChem CID 84637292) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 5-ethoxy-3-methyl-2-piperidin-4-yl-1H-indole.

Molecular Properties

Compound Name5-ethoxy-3-methyl-2-piperidin-4-yl-1H-indole
PubChem CID84637292
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name5-ethoxy-3-methyl-2-piperidin-4-yl-1H-indole
SMILESCCOc1ccc2[nH]c(C3CCNCC3)c(C)c2c1
InChIInChI=1S/C16H22N2O/c1-3-19-13-4-5-15-14(10-13)11(2)16(18-15)12-6-8-17-9-7-12/h4-5,10,12,17-18H,3,6-9H2,1-2H3
InChIKeyNAHFLFNGNZJMAQ-UHFFFAOYSA-N
XLogP3.34
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-ethoxyphenyl)piperidine
CID 21495191
3,6-dimethyl-2-piperidin-4-yl-1H-indole
CID 84625661
8-ethoxy-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 4777842
ethyl 5-ethoxy-3-methyl-1H-indole-2-carboxylate
CID 4777692
2,7-diethoxy-10H-acridin-9-one
CID 163923657
3-(3-ethoxyphenyl)pyrrolidine
CID 62064360
2,3-dimethyl-5-piperidin-4-yl-1H-indole
CID 82391168
3-(3-ethoxyphenyl)pyrrolidine;hydrochloride
CID 169498382
6-ethoxy-1-(3-methyl-2-pyridinyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 4262254
5-ethoxy-3-methyl-1H-indole
CID 82490542
5-ethoxy-3-methyl-N-[(3R)-oxan-3-yl]-1H-indole-2-carboxamide
CID 51497846
6-ethoxy-1-(3-fluoro-5-methylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 3950884

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-methyl-2-piperidin-4-yl-1H-indole?
The IUPAC name of 5-ethoxy-3-methyl-2-piperidin-4-yl-1H-indole (CID 84637292) is 5-ethoxy-3-methyl-2-piperidin-4-yl-1H-indole.
What is the SMILES notation for 5-ethoxy-3-methyl-2-piperidin-4-yl-1H-indole?
The canonical SMILES for 5-ethoxy-3-methyl-2-piperidin-4-yl-1H-indole is CCOc1ccc2[nH]c(C3CCNCC3)c(C)c2c1.
What is the InChIKey of 5-ethoxy-3-methyl-2-piperidin-4-yl-1H-indole?
The InChIKey is NAHFLFNGNZJMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-3-19-13-4-5-15-14(10-13)11(2)16(18-15)12-6-8-17-9-7-12/h4-5,10,12,17-18H,3,6-9H2,1-2H3.
What are the key properties of 5-ethoxy-3-methyl-2-piperidin-4-yl-1H-indole?
5-ethoxy-3-methyl-2-piperidin-4-yl-1H-indole has a molecular weight of 258.37 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-methyl-2-piperidin-4-yl-1H-indole is sourced from PubChem (CID 84637292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).