4-chloro-7-methoxy-3-piperidin-3-yl-1H-indole

C14H17ClN2O — CID 84639760

IUPAC4-chloro-7-methoxy-3-piperidin-3-yl-1H-indole
SMILESCOc1ccc(Cl)c2c(C3CCCNC3)c[nH]c12
InChIInChI=1S/C14H17ClN2O/c1-18-12-5-4-11(15)13-10(8-17-14(12)13)9-3-2-6-16-7-9/h4-5,8-9,16-17H,2-3,6-7H2,1H3
InChIKeyRIWUMZRYIKYZEY-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.30
Rot. Bonds2

About 4-chloro-7-methoxy-3-piperidin-3-yl-1H-indole

4-chloro-7-methoxy-3-piperidin-3-yl-1H-indole (PubChem CID 84639760) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 4-chloro-7-methoxy-3-piperidin-3-yl-1H-indole.

Molecular Properties

Compound Name4-chloro-7-methoxy-3-piperidin-3-yl-1H-indole
PubChem CID84639760
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name4-chloro-7-methoxy-3-piperidin-3-yl-1H-indole
SMILESCOc1ccc(Cl)c2c(C3CCCNC3)c[nH]c12
InChIInChI=1S/C14H17ClN2O/c1-18-12-5-4-11(15)13-10(8-17-14(12)13)9-3-2-6-16-7-9/h4-5,8-9,16-17H,2-3,6-7H2,1H3
InChIKeyRIWUMZRYIKYZEY-UHFFFAOYSA-N
XLogP3.30
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,7-dimethoxy-3-piperidin-3-yl-1H-indole
CID 82212328
(3S)-3-(5-chloro-2-methoxyphenyl)piperidine
CID 94259889
3-(2-chloro-4,5-dimethoxyphenyl)piperidine
CID 117392623
3-(2-chloro-3,4-dimethoxyphenyl)piperidine
CID 117392621
(3S)-3-(2,3-difluoro-4-methoxyphenyl)piperidine
CID 99945848
4-methoxy-3-piperidin-3-ylphenol
CID 117296244
3-(2,4-dimethoxy-3-methylsulfanylphenyl)piperidine
CID 117422244
4,6-dichloro-3-piperidin-3-yl-1H-indole
CID 82212349
3-(2-methoxy-4-methylsulfonylphenyl)piperidine
CID 117426853
(3S)-3-(2,5-dichlorophenyl)piperidine
CID 93478490
(3S)-3-(2,5-dimethoxy-4-methylphenyl)piperidine
CID 96674039
3-(5-chloro-3-methoxy-2,4-dimethylphenyl)piperidine
CID 117387979

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-methoxy-3-piperidin-3-yl-1H-indole?
The IUPAC name of 4-chloro-7-methoxy-3-piperidin-3-yl-1H-indole (CID 84639760) is 4-chloro-7-methoxy-3-piperidin-3-yl-1H-indole.
What is the SMILES notation for 4-chloro-7-methoxy-3-piperidin-3-yl-1H-indole?
The canonical SMILES for 4-chloro-7-methoxy-3-piperidin-3-yl-1H-indole is COc1ccc(Cl)c2c(C3CCCNC3)c[nH]c12.
What is the InChIKey of 4-chloro-7-methoxy-3-piperidin-3-yl-1H-indole?
The InChIKey is RIWUMZRYIKYZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-18-12-5-4-11(15)13-10(8-17-14(12)13)9-3-2-6-16-7-9/h4-5,8-9,16-17H,2-3,6-7H2,1H3.
What are the key properties of 4-chloro-7-methoxy-3-piperidin-3-yl-1H-indole?
4-chloro-7-methoxy-3-piperidin-3-yl-1H-indole has a molecular weight of 264.76 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-methoxy-3-piperidin-3-yl-1H-indole is sourced from PubChem (CID 84639760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).