4-amino-1-tert-butylpiperidine-4-carbonitrile

C10H19N3 — CID 22063202

IUPAC4-amino-1-tert-butylpiperidine-4-carbonitrile
SMILESCC(C)(C)N1CCC(N)(C#N)CC1
InChIInChI=1S/C10H19N3/c1-9(2,3)13-6-4-10(12,8-11)5-7-13/h4-7,12H2,1-3H3
InChIKeyPPPBLNLAVIEHPV-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.10
Rot. Bonds

About 4-amino-1-tert-butylpiperidine-4-carbonitrile

4-amino-1-tert-butylpiperidine-4-carbonitrile (PubChem CID 22063202) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-amino-1-tert-butylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name4-amino-1-tert-butylpiperidine-4-carbonitrile
PubChem CID22063202
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name4-amino-1-tert-butylpiperidine-4-carbonitrile
SMILESCC(C)(C)N1CCC(N)(C#N)CC1
InChIInChI=1S/C10H19N3/c1-9(2,3)13-6-4-10(12,8-11)5-7-13/h4-7,12H2,1-3H3
InChIKeyPPPBLNLAVIEHPV-UHFFFAOYSA-N
XLogP1.10
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-tert-butylpiperidine-4-carbonitrile?
The IUPAC name of 4-amino-1-tert-butylpiperidine-4-carbonitrile (CID 22063202) is 4-amino-1-tert-butylpiperidine-4-carbonitrile.
What is the SMILES notation for 4-amino-1-tert-butylpiperidine-4-carbonitrile?
The canonical SMILES for 4-amino-1-tert-butylpiperidine-4-carbonitrile is CC(C)(C)N1CCC(N)(C#N)CC1.
What is the InChIKey of 4-amino-1-tert-butylpiperidine-4-carbonitrile?
The InChIKey is PPPBLNLAVIEHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-9(2,3)13-6-4-10(12,8-11)5-7-13/h4-7,12H2,1-3H3.
What are the key properties of 4-amino-1-tert-butylpiperidine-4-carbonitrile?
4-amino-1-tert-butylpiperidine-4-carbonitrile has a molecular weight of 181.28 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-tert-butylpiperidine-4-carbonitrile is sourced from PubChem (CID 22063202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).