3-amino-1-(4-tert-butylphenyl)piperidine-3-carbonitrile

C16H23N3 — CID 117012890

IUPAC3-amino-1-(4-tert-butylphenyl)piperidine-3-carbonitrile
SMILESCC(C)(C)c1ccc(N2CCCC(N)(C#N)C2)cc1
InChIInChI=1S/C16H23N3/c1-15(2,3)13-5-7-14(8-6-13)19-10-4-9-16(18,11-17)12-19/h5-8H,4,9-10,12,18H2,1-3H3
InChIKeyWZBWCIPBKKEKCO-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.81
Rot. Bonds1

About 3-amino-1-(4-tert-butylphenyl)piperidine-3-carbonitrile

3-amino-1-(4-tert-butylphenyl)piperidine-3-carbonitrile (PubChem CID 117012890) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-amino-1-(4-tert-butylphenyl)piperidine-3-carbonitrile.

Molecular Properties

Compound Name3-amino-1-(4-tert-butylphenyl)piperidine-3-carbonitrile
PubChem CID117012890
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name3-amino-1-(4-tert-butylphenyl)piperidine-3-carbonitrile
SMILESCC(C)(C)c1ccc(N2CCCC(N)(C#N)C2)cc1
InChIInChI=1S/C16H23N3/c1-15(2,3)13-5-7-14(8-6-13)19-10-4-9-16(18,11-17)12-19/h5-8H,4,9-10,12,18H2,1-3H3
InChIKeyWZBWCIPBKKEKCO-UHFFFAOYSA-N
XLogP2.81
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-tert-butylphenyl)piperidine-3-carbonitrile?
The IUPAC name of 3-amino-1-(4-tert-butylphenyl)piperidine-3-carbonitrile (CID 117012890) is 3-amino-1-(4-tert-butylphenyl)piperidine-3-carbonitrile.
What is the SMILES notation for 3-amino-1-(4-tert-butylphenyl)piperidine-3-carbonitrile?
The canonical SMILES for 3-amino-1-(4-tert-butylphenyl)piperidine-3-carbonitrile is CC(C)(C)c1ccc(N2CCCC(N)(C#N)C2)cc1.
What is the InChIKey of 3-amino-1-(4-tert-butylphenyl)piperidine-3-carbonitrile?
The InChIKey is WZBWCIPBKKEKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-15(2,3)13-5-7-14(8-6-13)19-10-4-9-16(18,11-17)12-19/h5-8H,4,9-10,12,18H2,1-3H3.
What are the key properties of 3-amino-1-(4-tert-butylphenyl)piperidine-3-carbonitrile?
3-amino-1-(4-tert-butylphenyl)piperidine-3-carbonitrile has a molecular weight of 257.38 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-tert-butylphenyl)piperidine-3-carbonitrile is sourced from PubChem (CID 117012890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).