1,3-dimethyl-4-piperidin-1-ylindole

C15H20N2 — CID 126583344

IUPAC1,3-dimethyl-4-piperidin-1-ylindole
SMILESCc1cn(C)c2cccc(N3CCCCC3)c12
InChIInChI=1S/C15H20N2/c1-12-11-16(2)13-7-6-8-14(15(12)13)17-9-4-3-5-10-17/h6-8,11H,3-5,9-10H2,1-2H3
InChIKeyPWBACRCQESEVMX-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.48
Rot. Bonds1

About 1,3-dimethyl-4-piperidin-1-ylindole

1,3-dimethyl-4-piperidin-1-ylindole (PubChem CID 126583344) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1,3-dimethyl-4-piperidin-1-ylindole.

Molecular Properties

Compound Name1,3-dimethyl-4-piperidin-1-ylindole
PubChem CID126583344
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name1,3-dimethyl-4-piperidin-1-ylindole
SMILESCc1cn(C)c2cccc(N3CCCCC3)c12
InChIInChI=1S/C15H20N2/c1-12-11-16(2)13-7-6-8-14(15(12)13)17-9-4-3-5-10-17/h6-8,11H,3-5,9-10H2,1-2H3
InChIKeyPWBACRCQESEVMX-UHFFFAOYSA-N
XLogP3.48
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-piperidin-1-ylindole?
The IUPAC name of 1,3-dimethyl-4-piperidin-1-ylindole (CID 126583344) is 1,3-dimethyl-4-piperidin-1-ylindole.
What is the SMILES notation for 1,3-dimethyl-4-piperidin-1-ylindole?
The canonical SMILES for 1,3-dimethyl-4-piperidin-1-ylindole is Cc1cn(C)c2cccc(N3CCCCC3)c12.
What is the InChIKey of 1,3-dimethyl-4-piperidin-1-ylindole?
The InChIKey is PWBACRCQESEVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-12-11-16(2)13-7-6-8-14(15(12)13)17-9-4-3-5-10-17/h6-8,11H,3-5,9-10H2,1-2H3.
What are the key properties of 1,3-dimethyl-4-piperidin-1-ylindole?
1,3-dimethyl-4-piperidin-1-ylindole has a molecular weight of 228.34 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-piperidin-1-ylindole is sourced from PubChem (CID 126583344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).