6-chloro-2,7-dimethyl-3-piperidin-4-yl-1H-indole

C15H19ClN2 — CID 83678280

IUPAC6-chloro-2,7-dimethyl-3-piperidin-4-yl-1H-indole
SMILESCc1[nH]c2c(C)c(Cl)ccc2c1C1CCNCC1
InChIInChI=1S/C15H19ClN2/c1-9-13(16)4-3-12-14(10(2)18-15(9)12)11-5-7-17-8-6-11/h3-4,11,17-18H,5-8H2,1-2H3
InChIKeyBIDNCNZNEQYJMX-UHFFFAOYSA-N
MW262.78 g/mol
LogP3.91
Rot. Bonds1

About 6-chloro-2,7-dimethyl-3-piperidin-4-yl-1H-indole

6-chloro-2,7-dimethyl-3-piperidin-4-yl-1H-indole (PubChem CID 83678280) has the molecular formula C15H19ClN2 and a molecular weight of 262.78 g/mol. Its IUPAC name is 6-chloro-2,7-dimethyl-3-piperidin-4-yl-1H-indole.

Molecular Properties

Compound Name6-chloro-2,7-dimethyl-3-piperidin-4-yl-1H-indole
PubChem CID83678280
Molecular FormulaC15H19ClN2
Molecular Weight262.78 g/mol
Exact Mass262.12
IUPAC Name6-chloro-2,7-dimethyl-3-piperidin-4-yl-1H-indole
SMILESCc1[nH]c2c(C)c(Cl)ccc2c1C1CCNCC1
InChIInChI=1S/C15H19ClN2/c1-9-13(16)4-3-12-14(10(2)18-15(9)12)11-5-7-17-8-6-11/h3-4,11,17-18H,5-8H2,1-2H3
InChIKeyBIDNCNZNEQYJMX-UHFFFAOYSA-N
XLogP3.91
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,7-dimethyl-3-piperidin-4-yl-1H-indole?
The IUPAC name of 6-chloro-2,7-dimethyl-3-piperidin-4-yl-1H-indole (CID 83678280) is 6-chloro-2,7-dimethyl-3-piperidin-4-yl-1H-indole.
What is the SMILES notation for 6-chloro-2,7-dimethyl-3-piperidin-4-yl-1H-indole?
The canonical SMILES for 6-chloro-2,7-dimethyl-3-piperidin-4-yl-1H-indole is Cc1[nH]c2c(C)c(Cl)ccc2c1C1CCNCC1.
What is the InChIKey of 6-chloro-2,7-dimethyl-3-piperidin-4-yl-1H-indole?
The InChIKey is BIDNCNZNEQYJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2/c1-9-13(16)4-3-12-14(10(2)18-15(9)12)11-5-7-17-8-6-11/h3-4,11,17-18H,5-8H2,1-2H3.
What are the key properties of 6-chloro-2,7-dimethyl-3-piperidin-4-yl-1H-indole?
6-chloro-2,7-dimethyl-3-piperidin-4-yl-1H-indole has a molecular weight of 262.78 g/mol, XLogP of 3.91, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,7-dimethyl-3-piperidin-4-yl-1H-indole is sourced from PubChem (CID 83678280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).