1-butyl-4-(tert-butylamino)piperidine-4-carbonitrile

C14H27N3 — CID 22972962

IUPAC1-butyl-4-(tert-butylamino)piperidine-4-carbonitrile
SMILESCCCCN1CCC(C#N)(NC(C)(C)C)CC1
InChIInChI=1S/C14H27N3/c1-5-6-9-17-10-7-14(12-15,8-11-17)16-13(2,3)4/h16H,5-11H2,1-4H3
InChIKeyGAEIXZGDKQRTEE-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.53
Rot. Bonds4

About 1-butyl-4-(tert-butylamino)piperidine-4-carbonitrile

1-butyl-4-(tert-butylamino)piperidine-4-carbonitrile (PubChem CID 22972962) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-butyl-4-(tert-butylamino)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-butyl-4-(tert-butylamino)piperidine-4-carbonitrile
PubChem CID22972962
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name1-butyl-4-(tert-butylamino)piperidine-4-carbonitrile
SMILESCCCCN1CCC(C#N)(NC(C)(C)C)CC1
InChIInChI=1S/C14H27N3/c1-5-6-9-17-10-7-14(12-15,8-11-17)16-13(2,3)4/h16H,5-11H2,1-4H3
InChIKeyGAEIXZGDKQRTEE-UHFFFAOYSA-N
XLogP2.53
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(tert-butylamino)-1-[3-(dimethylamino)propyl]piperidine-4-carbonitrile
CID 22972948
4-(tert-butylamino)-1-ethylpiperidine-4-carbonitrile
CID 22972970
4-(methylamino)-1-propylpiperidine-4-carbonitrile
CID 28899448
1-(tert-butylamino)cyclopentane-1-carbonitrile
CID 20825324
N-tert-butyl-1-ethyl-3-ethynylpyrrolidin-3-amine
CID 59913364
3-methyl-1-pentylpyrrolidine-3-carbonitrile
CID 142123327
4-(tert-butylamino)-1-(1,1-dioxothian-4-yl)piperidine-4-carbonitrile
CID 22972927
1-(4,4-dimethylpentyl)-4-ethoxypiperidine-4-carbonitrile
CID 114284241
4-hydroxy-1-propylpiperidine-4-carbonitrile
CID 43436625
N-(4-cyano-1-methylpiperidin-4-yl)hexanamide
CID 54904452
3-(tert-butylamino)-1-cyclohexylpyrrolidine-3-carbonitrile;methane
CID 158595715
4-(methylaminomethyl)-1-pentylpiperidin-4-ol
CID 95441823

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(tert-butylamino)piperidine-4-carbonitrile?
The IUPAC name of 1-butyl-4-(tert-butylamino)piperidine-4-carbonitrile (CID 22972962) is 1-butyl-4-(tert-butylamino)piperidine-4-carbonitrile.
What is the SMILES notation for 1-butyl-4-(tert-butylamino)piperidine-4-carbonitrile?
The canonical SMILES for 1-butyl-4-(tert-butylamino)piperidine-4-carbonitrile is CCCCN1CCC(C#N)(NC(C)(C)C)CC1.
What is the InChIKey of 1-butyl-4-(tert-butylamino)piperidine-4-carbonitrile?
The InChIKey is GAEIXZGDKQRTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-5-6-9-17-10-7-14(12-15,8-11-17)16-13(2,3)4/h16H,5-11H2,1-4H3.
What are the key properties of 1-butyl-4-(tert-butylamino)piperidine-4-carbonitrile?
1-butyl-4-(tert-butylamino)piperidine-4-carbonitrile has a molecular weight of 237.39 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(tert-butylamino)piperidine-4-carbonitrile is sourced from PubChem (CID 22972962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).