1,3-dimethyl-2-piperidin-4-ylindole

C15H20N2 — CID 84625558

IUPAC1,3-dimethyl-2-piperidin-4-ylindole
SMILESCc1c(C2CCNCC2)n(C)c2ccccc12
InChIInChI=1S/C15H20N2/c1-11-13-5-3-4-6-14(13)17(2)15(11)12-7-9-16-10-8-12/h3-6,12,16H,7-10H2,1-2H3
InChIKeySNGJRMATIPFBNG-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.95
Rot. Bonds1

About 1,3-dimethyl-2-piperidin-4-ylindole

1,3-dimethyl-2-piperidin-4-ylindole (PubChem CID 84625558) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1,3-dimethyl-2-piperidin-4-ylindole.

Molecular Properties

Compound Name1,3-dimethyl-2-piperidin-4-ylindole
PubChem CID84625558
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name1,3-dimethyl-2-piperidin-4-ylindole
SMILESCc1c(C2CCNCC2)n(C)c2ccccc12
InChIInChI=1S/C15H20N2/c1-11-13-5-3-4-6-14(13)17(2)15(11)12-7-9-16-10-8-12/h3-6,12,16H,7-10H2,1-2H3
InChIKeySNGJRMATIPFBNG-UHFFFAOYSA-N
XLogP2.95
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-piperidin-4-ylindole?
The IUPAC name of 1,3-dimethyl-2-piperidin-4-ylindole (CID 84625558) is 1,3-dimethyl-2-piperidin-4-ylindole.
What is the SMILES notation for 1,3-dimethyl-2-piperidin-4-ylindole?
The canonical SMILES for 1,3-dimethyl-2-piperidin-4-ylindole is Cc1c(C2CCNCC2)n(C)c2ccccc12.
What is the InChIKey of 1,3-dimethyl-2-piperidin-4-ylindole?
The InChIKey is SNGJRMATIPFBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-11-13-5-3-4-6-14(13)17(2)15(11)12-7-9-16-10-8-12/h3-6,12,16H,7-10H2,1-2H3.
What are the key properties of 1,3-dimethyl-2-piperidin-4-ylindole?
1,3-dimethyl-2-piperidin-4-ylindole has a molecular weight of 228.34 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-piperidin-4-ylindole is sourced from PubChem (CID 84625558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).