1-tert-butyl-3,3-dimethylpiperidine-2-carbonitrile

C12H22N2 — CID 601512

IUPAC1-tert-butyl-3,3-dimethylpiperidine-2-carbonitrile
SMILESCC1(C)CCCN(C(C)(C)C)C1C#N
InChIInChI=1S/C12H22N2/c1-11(2,3)14-8-6-7-12(4,5)10(14)9-13/h10H,6-8H2,1-5H3
InChIKeyDTFJGSOLMACHNV-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.80
Rot. Bonds

About 1-tert-butyl-3,3-dimethylpiperidine-2-carbonitrile

1-tert-butyl-3,3-dimethylpiperidine-2-carbonitrile (PubChem CID 601512) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-tert-butyl-3,3-dimethylpiperidine-2-carbonitrile.

Molecular Properties

Compound Name1-tert-butyl-3,3-dimethylpiperidine-2-carbonitrile
PubChem CID601512
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-tert-butyl-3,3-dimethylpiperidine-2-carbonitrile
SMILESCC1(C)CCCN(C(C)(C)C)C1C#N
InChIInChI=1S/C12H22N2/c1-11(2,3)14-8-6-7-12(4,5)10(14)9-13/h10H,6-8H2,1-5H3
InChIKeyDTFJGSOLMACHNV-UHFFFAOYSA-N
XLogP2.80
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3,3-dimethylpiperidine-2-carbonitrile?
The IUPAC name of 1-tert-butyl-3,3-dimethylpiperidine-2-carbonitrile (CID 601512) is 1-tert-butyl-3,3-dimethylpiperidine-2-carbonitrile.
What is the SMILES notation for 1-tert-butyl-3,3-dimethylpiperidine-2-carbonitrile?
The canonical SMILES for 1-tert-butyl-3,3-dimethylpiperidine-2-carbonitrile is CC1(C)CCCN(C(C)(C)C)C1C#N.
What is the InChIKey of 1-tert-butyl-3,3-dimethylpiperidine-2-carbonitrile?
The InChIKey is DTFJGSOLMACHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-11(2,3)14-8-6-7-12(4,5)10(14)9-13/h10H,6-8H2,1-5H3.
What are the key properties of 1-tert-butyl-3,3-dimethylpiperidine-2-carbonitrile?
1-tert-butyl-3,3-dimethylpiperidine-2-carbonitrile has a molecular weight of 194.32 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3,3-dimethylpiperidine-2-carbonitrile is sourced from PubChem (CID 601512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).