4-piperidin-4-yl-2-propan-2-ylbenzonitrile

C15H20N2 — CID 91599912

IUPAC4-piperidin-4-yl-2-propan-2-ylbenzonitrile
SMILESCC(C)c1cc(C2CCNCC2)ccc1C#N
InChIInChI=1S/C15H20N2/c1-11(2)15-9-13(3-4-14(15)10-16)12-5-7-17-8-6-12/h3-4,9,11-12,17H,5-8H2,1-2H3
InChIKeyOUCCVQXTMGWOIK-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.15
Rot. Bonds2

About 4-piperidin-4-yl-2-propan-2-ylbenzonitrile

4-piperidin-4-yl-2-propan-2-ylbenzonitrile (PubChem CID 91599912) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-piperidin-4-yl-2-propan-2-ylbenzonitrile.

Molecular Properties

Compound Name4-piperidin-4-yl-2-propan-2-ylbenzonitrile
PubChem CID91599912
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name4-piperidin-4-yl-2-propan-2-ylbenzonitrile
SMILESCC(C)c1cc(C2CCNCC2)ccc1C#N
InChIInChI=1S/C15H20N2/c1-11(2)15-9-13(3-4-14(15)10-16)12-5-7-17-8-6-12/h3-4,9,11-12,17H,5-8H2,1-2H3
InChIKeyOUCCVQXTMGWOIK-UHFFFAOYSA-N
XLogP3.15
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-4-yl-2-propan-2-ylbenzonitrile?
The IUPAC name of 4-piperidin-4-yl-2-propan-2-ylbenzonitrile (CID 91599912) is 4-piperidin-4-yl-2-propan-2-ylbenzonitrile.
What is the SMILES notation for 4-piperidin-4-yl-2-propan-2-ylbenzonitrile?
The canonical SMILES for 4-piperidin-4-yl-2-propan-2-ylbenzonitrile is CC(C)c1cc(C2CCNCC2)ccc1C#N.
What is the InChIKey of 4-piperidin-4-yl-2-propan-2-ylbenzonitrile?
The InChIKey is OUCCVQXTMGWOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-11(2)15-9-13(3-4-14(15)10-16)12-5-7-17-8-6-12/h3-4,9,11-12,17H,5-8H2,1-2H3.
What are the key properties of 4-piperidin-4-yl-2-propan-2-ylbenzonitrile?
4-piperidin-4-yl-2-propan-2-ylbenzonitrile has a molecular weight of 228.34 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-4-yl-2-propan-2-ylbenzonitrile is sourced from PubChem (CID 91599912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).