4-phenylmethoxy-3-piperidin-3-yl-1H-indole

C20H22N2O — CID 82212323

IUPAC4-phenylmethoxy-3-piperidin-3-yl-1H-indole
SMILESc1ccc(COc2cccc3[nH]cc(C4CCCNC4)c23)cc1
InChIInChI=1S/C20H22N2O/c1-2-6-15(7-3-1)14-23-19-10-4-9-18-20(19)17(13-22-18)16-8-5-11-21-12-16/h1-4,6-7,9-10,13,16,21-22H,5,8,11-12,14H2
InChIKeyAZDMCAPRXWQXSU-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.21
Rot. Bonds4

About 4-phenylmethoxy-3-piperidin-3-yl-1H-indole

4-phenylmethoxy-3-piperidin-3-yl-1H-indole (PubChem CID 82212323) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-phenylmethoxy-3-piperidin-3-yl-1H-indole.

Molecular Properties

Compound Name4-phenylmethoxy-3-piperidin-3-yl-1H-indole
PubChem CID82212323
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name4-phenylmethoxy-3-piperidin-3-yl-1H-indole
SMILESc1ccc(COc2cccc3[nH]cc(C4CCCNC4)c23)cc1
InChIInChI=1S/C20H22N2O/c1-2-6-15(7-3-1)14-23-19-10-4-9-18-20(19)17(13-22-18)16-8-5-11-21-12-16/h1-4,6-7,9-10,13,16,21-22H,5,8,11-12,14H2
InChIKeyAZDMCAPRXWQXSU-UHFFFAOYSA-N
XLogP4.21
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenylmethoxy-4-piperidin-3-ylphenol
CID 117455625
4-phenylmethoxy-1H-indole-3-carbonitrile
CID 12798006
2-amino-6-(2-hydroxy-6-phenylmethoxyphenyl)-4-piperidin-3-ylpyridine-3-carbaldehyde;hydrochloride
CID 135550596
3-[1-(2-phenylmethoxyphenoxy)ethyl]piperidine
CID 68596615
2-[6-amino-5-(hydroxymethyl)-4-piperidin-3-yl-2-pyridinyl]-3-phenylmethoxyphenol;methane
CID 157188587
2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-phenylmethoxyphenol
CID 142686963
1-(4-phenylmethoxy-1H-indol-3-yl)ethanone
CID 158905078
4,6-dichloro-3-piperidin-3-yl-1H-indole
CID 82212349
ethyl 2-[(3-cyclopentyl-1H-indol-4-yl)oxy]acetate
CID 71736777
4,7-dimethoxy-3-piperidin-3-yl-1H-indole
CID 82212328
N-methyl-N-[2-(4-phenylmethoxy-1H-indol-3-yl)ethyl]propan-2-amine
CID 156852024
2-oxo-2-(4-phenylmethoxy-1H-indol-3-yl)acetyl chloride
CID 144992404

Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxy-3-piperidin-3-yl-1H-indole?
The IUPAC name of 4-phenylmethoxy-3-piperidin-3-yl-1H-indole (CID 82212323) is 4-phenylmethoxy-3-piperidin-3-yl-1H-indole.
What is the SMILES notation for 4-phenylmethoxy-3-piperidin-3-yl-1H-indole?
The canonical SMILES for 4-phenylmethoxy-3-piperidin-3-yl-1H-indole is c1ccc(COc2cccc3[nH]cc(C4CCCNC4)c23)cc1.
What is the InChIKey of 4-phenylmethoxy-3-piperidin-3-yl-1H-indole?
The InChIKey is AZDMCAPRXWQXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-2-6-15(7-3-1)14-23-19-10-4-9-18-20(19)17(13-22-18)16-8-5-11-21-12-16/h1-4,6-7,9-10,13,16,21-22H,5,8,11-12,14H2.
What are the key properties of 4-phenylmethoxy-3-piperidin-3-yl-1H-indole?
4-phenylmethoxy-3-piperidin-3-yl-1H-indole has a molecular weight of 306.41 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxy-3-piperidin-3-yl-1H-indole is sourced from PubChem (CID 82212323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).