4-anilino-1-propan-2-ylpiperidine-4-carbonitrile

C15H21N3 — CID 54886760

IUPAC4-anilino-1-propan-2-ylpiperidine-4-carbonitrile
SMILESCC(C)N1CCC(C#N)(Nc2ccccc2)CC1
InChIInChI=1S/C15H21N3/c1-13(2)18-10-8-15(12-16,9-11-18)17-14-6-4-3-5-7-14/h3-7,13,17H,8-11H2,1-2H3
InChIKeyKHPYEELENNJUOB-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.87
Rot. Bonds3

About 4-anilino-1-propan-2-ylpiperidine-4-carbonitrile

4-anilino-1-propan-2-ylpiperidine-4-carbonitrile (PubChem CID 54886760) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-anilino-1-propan-2-ylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name4-anilino-1-propan-2-ylpiperidine-4-carbonitrile
PubChem CID54886760
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name4-anilino-1-propan-2-ylpiperidine-4-carbonitrile
SMILESCC(C)N1CCC(C#N)(Nc2ccccc2)CC1
InChIInChI=1S/C15H21N3/c1-13(2)18-10-8-15(12-16,9-11-18)17-14-6-4-3-5-7-14/h3-7,13,17H,8-11H2,1-2H3
InChIKeyKHPYEELENNJUOB-UHFFFAOYSA-N
XLogP2.87
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-anilino-1-propan-2-ylpiperidine-4-carbonitrile?
The IUPAC name of 4-anilino-1-propan-2-ylpiperidine-4-carbonitrile (CID 54886760) is 4-anilino-1-propan-2-ylpiperidine-4-carbonitrile.
What is the SMILES notation for 4-anilino-1-propan-2-ylpiperidine-4-carbonitrile?
The canonical SMILES for 4-anilino-1-propan-2-ylpiperidine-4-carbonitrile is CC(C)N1CCC(C#N)(Nc2ccccc2)CC1.
What is the InChIKey of 4-anilino-1-propan-2-ylpiperidine-4-carbonitrile?
The InChIKey is KHPYEELENNJUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-13(2)18-10-8-15(12-16,9-11-18)17-14-6-4-3-5-7-14/h3-7,13,17H,8-11H2,1-2H3.
What are the key properties of 4-anilino-1-propan-2-ylpiperidine-4-carbonitrile?
4-anilino-1-propan-2-ylpiperidine-4-carbonitrile has a molecular weight of 243.35 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-1-propan-2-ylpiperidine-4-carbonitrile is sourced from PubChem (CID 54886760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).