4-(tert-butylamino)-1-ethylpiperidine-4-carbonitrile

C12H23N3 — CID 22972970

IUPAC4-(tert-butylamino)-1-ethylpiperidine-4-carbonitrile
SMILESCCN1CCC(C#N)(NC(C)(C)C)CC1
InChIInChI=1S/C12H23N3/c1-5-15-8-6-12(10-13,7-9-15)14-11(2,3)4/h14H,5-9H2,1-4H3
InChIKeyBRDZEGVITMXMKQ-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.75
Rot. Bonds2

About 4-(tert-butylamino)-1-ethylpiperidine-4-carbonitrile

4-(tert-butylamino)-1-ethylpiperidine-4-carbonitrile (PubChem CID 22972970) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 4-(tert-butylamino)-1-ethylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name4-(tert-butylamino)-1-ethylpiperidine-4-carbonitrile
PubChem CID22972970
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name4-(tert-butylamino)-1-ethylpiperidine-4-carbonitrile
SMILESCCN1CCC(C#N)(NC(C)(C)C)CC1
InChIInChI=1S/C12H23N3/c1-5-15-8-6-12(10-13,7-9-15)14-11(2,3)4/h14H,5-9H2,1-4H3
InChIKeyBRDZEGVITMXMKQ-UHFFFAOYSA-N
XLogP1.75
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-4-(tert-butylamino)piperidine-4-carbonitrile
CID 22972962
4-(tert-butylamino)-1-[3-(dimethylamino)propyl]piperidine-4-carbonitrile
CID 22972948
1-(tert-butylamino)cyclopentane-1-carbonitrile
CID 20825324
N-tert-butyl-1-ethyl-3-ethynylpyrrolidin-3-amine
CID 59913364
(4-cyano-1-ethylpiperidin-4-yl)carbamic acid
CID 90106138
1-ethyl-4-(prop-2-ynylamino)azepane-4-carbonitrile
CID 65076196
1-ethyl-4-hydroxypiperidine-4-carbonitrile
CID 43436600
1-ethyl-4-(3-hydroxypropylamino)azepane-4-carbonitrile
CID 65076348
4-(tert-butylamino)-1-(1,1-dioxothian-4-yl)piperidine-4-carbonitrile
CID 22972927
4-(methylamino)-1-propylpiperidine-4-carbonitrile
CID 28899448
1-ethyl-4-methoxypiperidine-4-carbonitrile
CID 130519331
3-(tert-butylamino)-1-cyclohexylpyrrolidine-3-carbonitrile;methane
CID 158595715

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylamino)-1-ethylpiperidine-4-carbonitrile?
The IUPAC name of 4-(tert-butylamino)-1-ethylpiperidine-4-carbonitrile (CID 22972970) is 4-(tert-butylamino)-1-ethylpiperidine-4-carbonitrile.
What is the SMILES notation for 4-(tert-butylamino)-1-ethylpiperidine-4-carbonitrile?
The canonical SMILES for 4-(tert-butylamino)-1-ethylpiperidine-4-carbonitrile is CCN1CCC(C#N)(NC(C)(C)C)CC1.
What is the InChIKey of 4-(tert-butylamino)-1-ethylpiperidine-4-carbonitrile?
The InChIKey is BRDZEGVITMXMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-5-15-8-6-12(10-13,7-9-15)14-11(2,3)4/h14H,5-9H2,1-4H3.
What are the key properties of 4-(tert-butylamino)-1-ethylpiperidine-4-carbonitrile?
4-(tert-butylamino)-1-ethylpiperidine-4-carbonitrile has a molecular weight of 209.34 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylamino)-1-ethylpiperidine-4-carbonitrile is sourced from PubChem (CID 22972970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).