3-chloro-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indole

C22H25ClN2O — CID 140981808

IUPAC3-chloro-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indole
SMILESClc1cn(Cc2ccc(OCCN3CCCCC3)cc2)c2ccccc12
InChIInChI=1S/C22H25ClN2O/c23-21-17-25(22-7-3-2-6-20(21)22)16-18-8-10-19(11-9-18)26-15-14-24-12-4-1-5-13-24/h2-3,6-11,17H,1,4-5,12-16H2
InChIKeyDIAMQOMYAYIGJC-UHFFFAOYSA-N
MW368.91 g/mol
LogP5.21
Rot. Bonds6

About 3-chloro-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indole

3-chloro-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indole (PubChem CID 140981808) has the molecular formula C22H25ClN2O and a molecular weight of 368.91 g/mol. Its IUPAC name is 3-chloro-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indole.

Molecular Properties

Compound Name3-chloro-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indole
PubChem CID140981808
Molecular FormulaC22H25ClN2O
Molecular Weight368.91 g/mol
Exact Mass368.17
IUPAC Name3-chloro-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indole
SMILESClc1cn(Cc2ccc(OCCN3CCCCC3)cc2)c2ccccc12
InChIInChI=1S/C22H25ClN2O/c23-21-17-25(22-7-3-2-6-20(21)22)16-18-8-10-19(11-9-18)26-15-14-24-12-4-1-5-13-24/h2-3,6-11,17H,1,4-5,12-16H2
InChIKeyDIAMQOMYAYIGJC-UHFFFAOYSA-N
XLogP5.21
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.91
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyrido[2,3-b]indole
CID 155678411
1-[[4-(2-phenylethoxy)phenyl]methyl]piperidine
CID 15952241
1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-methylindole
CID 139899858
11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5,6-dihydrobenzo[a]carbazole
CID 57233587
4-[4-[3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-2-yl]phenyl]phenol
CID 174448613
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683
1-[2-(4-ethylphenoxy)ethyl]piperidine
CID 867198
1-[2-[4-[(2,6-dichlorophenyl)methoxy]phenoxy]ethyl]pyrrolidine
CID 18678156
3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-2-(4-propan-2-yloxyphenyl)indole
CID 91000508
1-[2-(4-propylphenoxy)ethyl]pyrrolidine
CID 54244276
[4-[2-(azepan-1-yl)ethoxy]phenyl]methanol;hydrochloride
CID 78358370
2-[4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]piperazin-1-yl]ethanol
CID 110888313

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indole?
The IUPAC name of 3-chloro-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indole (CID 140981808) is 3-chloro-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indole.
What is the SMILES notation for 3-chloro-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indole?
The canonical SMILES for 3-chloro-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indole is Clc1cn(Cc2ccc(OCCN3CCCCC3)cc2)c2ccccc12.
What is the InChIKey of 3-chloro-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indole?
The InChIKey is DIAMQOMYAYIGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O/c23-21-17-25(22-7-3-2-6-20(21)22)16-18-8-10-19(11-9-18)26-15-14-24-12-4-1-5-13-24/h2-3,6-11,17H,1,4-5,12-16H2.
What are the key properties of 3-chloro-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indole?
3-chloro-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indole has a molecular weight of 368.91 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indole is sourced from PubChem (CID 140981808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).