6-chloro-1-ethyl-3-(piperidin-1-ylmethyl)indole

C16H21ClN2 — CID 117178863

IUPAC6-chloro-1-ethyl-3-(piperidin-1-ylmethyl)indole
SMILESCCn1cc(CN2CCCCC2)c2ccc(Cl)cc21
InChIInChI=1S/C16H21ClN2/c1-2-19-12-13(11-18-8-4-3-5-9-18)15-7-6-14(17)10-16(15)19/h6-7,10,12H,2-5,8-9,11H2,1H3
InChIKeyGHFIGBSMZVKUQP-UHFFFAOYSA-N
MW276.81 g/mol
LogP4.30
Rot. Bonds3

About 6-chloro-1-ethyl-3-(piperidin-1-ylmethyl)indole

6-chloro-1-ethyl-3-(piperidin-1-ylmethyl)indole (PubChem CID 117178863) has the molecular formula C16H21ClN2 and a molecular weight of 276.81 g/mol. Its IUPAC name is 6-chloro-1-ethyl-3-(piperidin-1-ylmethyl)indole.

Molecular Properties

Compound Name6-chloro-1-ethyl-3-(piperidin-1-ylmethyl)indole
PubChem CID117178863
Molecular FormulaC16H21ClN2
Molecular Weight276.81 g/mol
Exact Mass276.14
IUPAC Name6-chloro-1-ethyl-3-(piperidin-1-ylmethyl)indole
SMILESCCn1cc(CN2CCCCC2)c2ccc(Cl)cc21
InChIInChI=1S/C16H21ClN2/c1-2-19-12-13(11-18-8-4-3-5-9-18)15-7-6-14(17)10-16(15)19/h6-7,10,12H,2-5,8-9,11H2,1H3
InChIKeyGHFIGBSMZVKUQP-UHFFFAOYSA-N
XLogP4.30
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-ethyl-3-(piperidin-1-ylmethyl)indole?
The IUPAC name of 6-chloro-1-ethyl-3-(piperidin-1-ylmethyl)indole (CID 117178863) is 6-chloro-1-ethyl-3-(piperidin-1-ylmethyl)indole.
What is the SMILES notation for 6-chloro-1-ethyl-3-(piperidin-1-ylmethyl)indole?
The canonical SMILES for 6-chloro-1-ethyl-3-(piperidin-1-ylmethyl)indole is CCn1cc(CN2CCCCC2)c2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-ethyl-3-(piperidin-1-ylmethyl)indole?
The InChIKey is GHFIGBSMZVKUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2/c1-2-19-12-13(11-18-8-4-3-5-9-18)15-7-6-14(17)10-16(15)19/h6-7,10,12H,2-5,8-9,11H2,1H3.
What are the key properties of 6-chloro-1-ethyl-3-(piperidin-1-ylmethyl)indole?
6-chloro-1-ethyl-3-(piperidin-1-ylmethyl)indole has a molecular weight of 276.81 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-ethyl-3-(piperidin-1-ylmethyl)indole is sourced from PubChem (CID 117178863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).