4-(4-methyl-1H-indol-2-yl)piperidine-4-carbonitrile

C15H17N3 — CID 82621768

IUPAC4-(4-methyl-1H-indol-2-yl)piperidine-4-carbonitrile
SMILESCc1cccc2[nH]c(C3(C#N)CCNCC3)cc12
InChIInChI=1S/C15H17N3/c1-11-3-2-4-13-12(11)9-14(18-13)15(10-16)5-7-17-8-6-15/h2-4,9,17-18H,5-8H2,1H3
InChIKeyOXOPVKINNQCGKN-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.62
Rot. Bonds1

About 4-(4-methyl-1H-indol-2-yl)piperidine-4-carbonitrile

4-(4-methyl-1H-indol-2-yl)piperidine-4-carbonitrile (PubChem CID 82621768) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-(4-methyl-1H-indol-2-yl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-(4-methyl-1H-indol-2-yl)piperidine-4-carbonitrile
PubChem CID82621768
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name4-(4-methyl-1H-indol-2-yl)piperidine-4-carbonitrile
SMILESCc1cccc2[nH]c(C3(C#N)CCNCC3)cc12
InChIInChI=1S/C15H17N3/c1-11-3-2-4-13-12(11)9-14(18-13)15(10-16)5-7-17-8-6-15/h2-4,9,17-18H,5-8H2,1H3
InChIKeyOXOPVKINNQCGKN-UHFFFAOYSA-N
XLogP2.62
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1H-indol-2-yl)piperidine-4-carbonitrile?
The IUPAC name of 4-(4-methyl-1H-indol-2-yl)piperidine-4-carbonitrile (CID 82621768) is 4-(4-methyl-1H-indol-2-yl)piperidine-4-carbonitrile.
What is the SMILES notation for 4-(4-methyl-1H-indol-2-yl)piperidine-4-carbonitrile?
The canonical SMILES for 4-(4-methyl-1H-indol-2-yl)piperidine-4-carbonitrile is Cc1cccc2[nH]c(C3(C#N)CCNCC3)cc12.
What is the InChIKey of 4-(4-methyl-1H-indol-2-yl)piperidine-4-carbonitrile?
The InChIKey is OXOPVKINNQCGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-11-3-2-4-13-12(11)9-14(18-13)15(10-16)5-7-17-8-6-15/h2-4,9,17-18H,5-8H2,1H3.
What are the key properties of 4-(4-methyl-1H-indol-2-yl)piperidine-4-carbonitrile?
4-(4-methyl-1H-indol-2-yl)piperidine-4-carbonitrile has a molecular weight of 239.32 g/mol, XLogP of 2.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1H-indol-2-yl)piperidine-4-carbonitrile is sourced from PubChem (CID 82621768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).