3-[4-(1H-indol-2-yl)piperidin-1-yl]propanenitrile

C16H19N3 — CID 56821592

IUPAC3-[4-(1H-indol-2-yl)piperidin-1-yl]propanenitrile
SMILESN#CCCN1CCC(c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C16H19N3/c17-8-3-9-19-10-6-13(7-11-19)16-12-14-4-1-2-5-15(14)18-16/h1-2,4-5,12-13,18H,3,6-7,9-11H2
InChIKeyKFXJDMGIRVVFDL-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.26
Rot. Bonds3

About 3-[4-(1H-indol-2-yl)piperidin-1-yl]propanenitrile

3-[4-(1H-indol-2-yl)piperidin-1-yl]propanenitrile (PubChem CID 56821592) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-[4-(1H-indol-2-yl)piperidin-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[4-(1H-indol-2-yl)piperidin-1-yl]propanenitrile
PubChem CID56821592
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name3-[4-(1H-indol-2-yl)piperidin-1-yl]propanenitrile
SMILESN#CCCN1CCC(c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C16H19N3/c17-8-3-9-19-10-6-13(7-11-19)16-12-14-4-1-2-5-15(14)18-16/h1-2,4-5,12-13,18H,3,6-7,9-11H2
InChIKeyKFXJDMGIRVVFDL-UHFFFAOYSA-N
XLogP3.26
TPSA42.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1H-indol-2-yl)piperidin-1-yl]propanenitrile?
The IUPAC name of 3-[4-(1H-indol-2-yl)piperidin-1-yl]propanenitrile (CID 56821592) is 3-[4-(1H-indol-2-yl)piperidin-1-yl]propanenitrile.
What is the SMILES notation for 3-[4-(1H-indol-2-yl)piperidin-1-yl]propanenitrile?
The canonical SMILES for 3-[4-(1H-indol-2-yl)piperidin-1-yl]propanenitrile is N#CCCN1CCC(c2cc3ccccc3[nH]2)CC1.
What is the InChIKey of 3-[4-(1H-indol-2-yl)piperidin-1-yl]propanenitrile?
The InChIKey is KFXJDMGIRVVFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c17-8-3-9-19-10-6-13(7-11-19)16-12-14-4-1-2-5-15(14)18-16/h1-2,4-5,12-13,18H,3,6-7,9-11H2.
What are the key properties of 3-[4-(1H-indol-2-yl)piperidin-1-yl]propanenitrile?
3-[4-(1H-indol-2-yl)piperidin-1-yl]propanenitrile has a molecular weight of 253.35 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1H-indol-2-yl)piperidin-1-yl]propanenitrile is sourced from PubChem (CID 56821592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).