3-[2-[4-(4-chlorophenoxy)piperidin-1-yl]ethyl]-1H-indole

C21H23ClN2O — CID 21428691

IUPAC3-[2-[4-(4-chlorophenoxy)piperidin-1-yl]ethyl]-1H-indole
SMILESClc1ccc(OC2CCN(CCc3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C21H23ClN2O/c22-17-5-7-18(8-6-17)25-19-10-13-24(14-11-19)12-9-16-15-23-21-4-2-1-3-20(16)21/h1-8,15,19,23H,9-14H2
InChIKeyPYGLAWNLUMTKHV-UHFFFAOYSA-N
MW354.88 g/mol
LogP4.91
Rot. Bonds5

About 3-[2-[4-(4-chlorophenoxy)piperidin-1-yl]ethyl]-1H-indole

3-[2-[4-(4-chlorophenoxy)piperidin-1-yl]ethyl]-1H-indole (PubChem CID 21428691) has the molecular formula C21H23ClN2O and a molecular weight of 354.88 g/mol. Its IUPAC name is 3-[2-[4-(4-chlorophenoxy)piperidin-1-yl]ethyl]-1H-indole.

Molecular Properties

Compound Name3-[2-[4-(4-chlorophenoxy)piperidin-1-yl]ethyl]-1H-indole
PubChem CID21428691
Molecular FormulaC21H23ClN2O
Molecular Weight354.88 g/mol
Exact Mass354.15
IUPAC Name3-[2-[4-(4-chlorophenoxy)piperidin-1-yl]ethyl]-1H-indole
SMILESClc1ccc(OC2CCN(CCc3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C21H23ClN2O/c22-17-5-7-18(8-6-17)25-19-10-13-24(14-11-19)12-9-16-15-23-21-4-2-1-3-20(16)21/h1-8,15,19,23H,9-14H2
InChIKeyPYGLAWNLUMTKHV-UHFFFAOYSA-N
XLogP4.91
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(4-chlorophenoxy)piperidin-1-yl]ethyl]-1H-indole?
The IUPAC name of 3-[2-[4-(4-chlorophenoxy)piperidin-1-yl]ethyl]-1H-indole (CID 21428691) is 3-[2-[4-(4-chlorophenoxy)piperidin-1-yl]ethyl]-1H-indole.
What is the SMILES notation for 3-[2-[4-(4-chlorophenoxy)piperidin-1-yl]ethyl]-1H-indole?
The canonical SMILES for 3-[2-[4-(4-chlorophenoxy)piperidin-1-yl]ethyl]-1H-indole is Clc1ccc(OC2CCN(CCc3c[nH]c4ccccc34)CC2)cc1.
What is the InChIKey of 3-[2-[4-(4-chlorophenoxy)piperidin-1-yl]ethyl]-1H-indole?
The InChIKey is PYGLAWNLUMTKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O/c22-17-5-7-18(8-6-17)25-19-10-13-24(14-11-19)12-9-16-15-23-21-4-2-1-3-20(16)21/h1-8,15,19,23H,9-14H2.
What are the key properties of 3-[2-[4-(4-chlorophenoxy)piperidin-1-yl]ethyl]-1H-indole?
3-[2-[4-(4-chlorophenoxy)piperidin-1-yl]ethyl]-1H-indole has a molecular weight of 354.88 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(4-chlorophenoxy)piperidin-1-yl]ethyl]-1H-indole is sourced from PubChem (CID 21428691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).