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

C21H23ClN2O — CID 21428727

IUPAC3-[2-[4-(3-chlorophenoxy)piperidin-1-yl]ethyl]-1H-indole
SMILESClc1cccc(OC2CCN(CCc3c[nH]c4ccccc34)CC2)c1
InChIInChI=1S/C21H23ClN2O/c22-17-4-3-5-19(14-17)25-18-9-12-24(13-10-18)11-8-16-15-23-21-7-2-1-6-20(16)21/h1-7,14-15,18,23H,8-13H2
InChIKeyUYAOKZWIAHSTIQ-UHFFFAOYSA-N
MW354.88 g/mol
LogP4.91
Rot. Bonds5

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

3-[2-[4-(3-chlorophenoxy)piperidin-1-yl]ethyl]-1H-indole (PubChem CID 21428727) has the molecular formula C21H23ClN2O and a molecular weight of 354.88 g/mol. Its IUPAC name is 3-[2-[4-(3-chlorophenoxy)piperidin-1-yl]ethyl]-1H-indole.

Molecular Properties

Compound Name3-[2-[4-(3-chlorophenoxy)piperidin-1-yl]ethyl]-1H-indole
PubChem CID21428727
Molecular FormulaC21H23ClN2O
Molecular Weight354.88 g/mol
Exact Mass354.15
IUPAC Name3-[2-[4-(3-chlorophenoxy)piperidin-1-yl]ethyl]-1H-indole
SMILESClc1cccc(OC2CCN(CCc3c[nH]c4ccccc34)CC2)c1
InChIInChI=1S/C21H23ClN2O/c22-17-4-3-5-19(14-17)25-18-9-12-24(13-10-18)11-8-16-15-23-21-7-2-1-6-20(16)21/h1-7,14-15,18,23H,8-13H2
InChIKeyUYAOKZWIAHSTIQ-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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Related Compounds

3-[2-[4-(3-thiophen-2-ylphenoxy)piperidin-1-yl]ethyl]-1H-indole
CID 24733645
3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393
N-[(3-chlorophenyl)methyl]-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 110616503
4-chloro-N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]benzenesulfonamide
CID 22754835
4-fluoro-2-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-1H-indole
CID 22364686
1-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one
CID 56872329
4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carbaldehyde
CID 91084591
4-[2-(1H-indol-3-yl)ethyl]-1,4-thiazinane 1,1-dioxide
CID 2767993
3-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1H-indole
CID 117007752
cyclopropyl-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]methanone
CID 110602085
5-chloro-3-(2-piperazin-1-ylethyl)-1H-indole
CID 82277469
1-[2-(1H-indol-3-yl)ethyl]piperidin-3-ol
CID 3054781

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(3-chlorophenoxy)piperidin-1-yl]ethyl]-1H-indole?
The IUPAC name of 3-[2-[4-(3-chlorophenoxy)piperidin-1-yl]ethyl]-1H-indole (CID 21428727) is 3-[2-[4-(3-chlorophenoxy)piperidin-1-yl]ethyl]-1H-indole.
What is the SMILES notation for 3-[2-[4-(3-chlorophenoxy)piperidin-1-yl]ethyl]-1H-indole?
The canonical SMILES for 3-[2-[4-(3-chlorophenoxy)piperidin-1-yl]ethyl]-1H-indole is Clc1cccc(OC2CCN(CCc3c[nH]c4ccccc34)CC2)c1.
What is the InChIKey of 3-[2-[4-(3-chlorophenoxy)piperidin-1-yl]ethyl]-1H-indole?
The InChIKey is UYAOKZWIAHSTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O/c22-17-4-3-5-19(14-17)25-18-9-12-24(13-10-18)11-8-16-15-23-21-7-2-1-6-20(16)21/h1-7,14-15,18,23H,8-13H2.
What are the key properties of 3-[2-[4-(3-chlorophenoxy)piperidin-1-yl]ethyl]-1H-indole?
3-[2-[4-(3-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-(3-chlorophenoxy)piperidin-1-yl]ethyl]-1H-indole is sourced from PubChem (CID 21428727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).