4-(tert-butylamino)-1-[3-(dimethylamino)propyl]piperidine-4-carbonitrile

C15H30N4 — CID 22972948

IUPAC4-(tert-butylamino)-1-[3-(dimethylamino)propyl]piperidine-4-carbonitrile
SMILESCN(C)CCCN1CCC(C#N)(NC(C)(C)C)CC1
InChIInChI=1S/C15H30N4/c1-14(2,3)17-15(13-16)7-11-19(12-8-15)10-6-9-18(4)5/h17H,6-12H2,1-5H3
InChIKeyOSHRIOSLKAAMNL-UHFFFAOYSA-N
MW266.43 g/mol
LogP1.68
Rot. Bonds5

About 4-(tert-butylamino)-1-[3-(dimethylamino)propyl]piperidine-4-carbonitrile

4-(tert-butylamino)-1-[3-(dimethylamino)propyl]piperidine-4-carbonitrile (PubChem CID 22972948) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is 4-(tert-butylamino)-1-[3-(dimethylamino)propyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-(tert-butylamino)-1-[3-(dimethylamino)propyl]piperidine-4-carbonitrile
PubChem CID22972948
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC Name4-(tert-butylamino)-1-[3-(dimethylamino)propyl]piperidine-4-carbonitrile
SMILESCN(C)CCCN1CCC(C#N)(NC(C)(C)C)CC1
InChIInChI=1S/C15H30N4/c1-14(2,3)17-15(13-16)7-11-19(12-8-15)10-6-9-18(4)5/h17H,6-12H2,1-5H3
InChIKeyOSHRIOSLKAAMNL-UHFFFAOYSA-N
XLogP1.68
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-4-(tert-butylamino)piperidine-4-carbonitrile
CID 22972962
4-(tert-butylamino)-1-ethylpiperidine-4-carbonitrile
CID 22972970
1-[3-(dimethylamino)propyl]-4-methylsulfanylpiperidine-4-carbonitrile
CID 114525358
3-(aziridin-1-yl)-N,N-dimethylpropan-1-amine
CID 154296752
1-(tert-butylamino)cyclopentane-1-carbonitrile
CID 20825324
3-(8-azaspiro[4.5]decan-8-yl)-N,N-dimethylpropan-1-amine
CID 129349796
3-(12-azadispiro[5.2.59.26]hexadecan-12-yl)-N,N-dimethylpropan-1-amine
CID 134842907
[1-[3-(dimethylamino)propyl]-4-(methylamino)piperidin-4-yl]methanol
CID 117012027
3-[2-(dimethylamino)ethylamino]-1-methylpyrrolidine-3-carbonitrile
CID 62977137
1-[3-(dimethylamino)propyl]-4-(methylamino)piperidine-4-carboxylic acid
CID 117011947
N,N-dimethyl-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 13330581
4-(methylamino)-1-propylpiperidine-4-carbonitrile
CID 28899448

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylamino)-1-[3-(dimethylamino)propyl]piperidine-4-carbonitrile?
The IUPAC name of 4-(tert-butylamino)-1-[3-(dimethylamino)propyl]piperidine-4-carbonitrile (CID 22972948) is 4-(tert-butylamino)-1-[3-(dimethylamino)propyl]piperidine-4-carbonitrile.
What is the SMILES notation for 4-(tert-butylamino)-1-[3-(dimethylamino)propyl]piperidine-4-carbonitrile?
The canonical SMILES for 4-(tert-butylamino)-1-[3-(dimethylamino)propyl]piperidine-4-carbonitrile is CN(C)CCCN1CCC(C#N)(NC(C)(C)C)CC1.
What is the InChIKey of 4-(tert-butylamino)-1-[3-(dimethylamino)propyl]piperidine-4-carbonitrile?
The InChIKey is OSHRIOSLKAAMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-14(2,3)17-15(13-16)7-11-19(12-8-15)10-6-9-18(4)5/h17H,6-12H2,1-5H3.
What are the key properties of 4-(tert-butylamino)-1-[3-(dimethylamino)propyl]piperidine-4-carbonitrile?
4-(tert-butylamino)-1-[3-(dimethylamino)propyl]piperidine-4-carbonitrile has a molecular weight of 266.43 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylamino)-1-[3-(dimethylamino)propyl]piperidine-4-carbonitrile is sourced from PubChem (CID 22972948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).