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

C16H23N3 — CID 117013067

IUPAC4-amino-1-(4-tert-butylphenyl)piperidine-4-carbonitrile
SMILESCC(C)(C)c1ccc(N2CCC(N)(C#N)CC2)cc1
InChIInChI=1S/C16H23N3/c1-15(2,3)13-4-6-14(7-5-13)19-10-8-16(18,12-17)9-11-19/h4-7H,8-11,18H2,1-3H3
InChIKeyDRSVVSYXMVMHHW-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.81
Rot. Bonds1

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

4-amino-1-(4-tert-butylphenyl)piperidine-4-carbonitrile (PubChem CID 117013067) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 4-amino-1-(4-tert-butylphenyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-amino-1-(4-tert-butylphenyl)piperidine-4-carbonitrile
PubChem CID117013067
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name4-amino-1-(4-tert-butylphenyl)piperidine-4-carbonitrile
SMILESCC(C)(C)c1ccc(N2CCC(N)(C#N)CC2)cc1
InChIInChI=1S/C16H23N3/c1-15(2,3)13-4-6-14(7-5-13)19-10-8-16(18,12-17)9-11-19/h4-7H,8-11,18H2,1-3H3
InChIKeyDRSVVSYXMVMHHW-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 4-amino-1-(4-tert-butylphenyl)piperidine-4-carbonitrile?
The IUPAC name of 4-amino-1-(4-tert-butylphenyl)piperidine-4-carbonitrile (CID 117013067) is 4-amino-1-(4-tert-butylphenyl)piperidine-4-carbonitrile.
What is the SMILES notation for 4-amino-1-(4-tert-butylphenyl)piperidine-4-carbonitrile?
The canonical SMILES for 4-amino-1-(4-tert-butylphenyl)piperidine-4-carbonitrile is CC(C)(C)c1ccc(N2CCC(N)(C#N)CC2)cc1.
What is the InChIKey of 4-amino-1-(4-tert-butylphenyl)piperidine-4-carbonitrile?
The InChIKey is DRSVVSYXMVMHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-15(2,3)13-4-6-14(7-5-13)19-10-8-16(18,12-17)9-11-19/h4-7H,8-11,18H2,1-3H3.
What are the key properties of 4-amino-1-(4-tert-butylphenyl)piperidine-4-carbonitrile?
4-amino-1-(4-tert-butylphenyl)piperidine-4-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 4-amino-1-(4-tert-butylphenyl)piperidine-4-carbonitrile is sourced from PubChem (CID 117013067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).