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

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

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Related Compounds

Idalopirdine
CID 21071390
5-(Benzyloxy)tryptamine
CID 89576
N,N-Dimethyl-5-(phenylmethoxy)-1H-indole-3-methanamine
CID 73814
5-Methoxy-3-{4-[4-(4-methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole
CID 9800737
6-[(2R)-2-[2-[4-(4-chlorophenoxy)piperidin-1-yl]ethyl]pyrrolidin-1-yl]sulfonyl-1H-indole
CID 10028436
3-[(2S)-2-amino-3-({6-chloro-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}oxy)propyl]-1H-indole
CID 10194362
3-[(2S)-2-amino-3-({2-chloro-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}oxy)propyl]-1H-indole
CID 10237750
6-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-chloroisoquinoline
CID 10287988
{[2-chloro-3-(trifluoromethyl)phenyl]methyl}(2,2-diphenylethyl)[3-(1H-indol-4-yloxy)propyl]amine
CID 25190757
3-{[4-(2-ethoxyphenyl)-1-piperazinyl]methyl}-1H-indole
CID 3504099
[2-(2-Cyclopropylmethoxy-phenoxy)-ethyl]-[2-(1H-indol-3-yl)-1,1-dimethyl-ethyl]-amine
CID 3894573
[2-(3-Chloro-1H-indol-4-yloxy)-ethyl]-(4-phenyl-butyl)-amine
CID 9884480

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).