2,2-dimethyl-4-[3-(propylaminomethyl)piperidin-1-yl]butanenitrile

C15H29N3 — CID 65252040

IUPAC2,2-dimethyl-4-[3-(propylaminomethyl)piperidin-1-yl]butanenitrile
SMILESCCCNCC1CCCN(CCC(C)(C)C#N)C1
InChIInChI=1S/C15H29N3/c1-4-8-17-11-14-6-5-9-18(12-14)10-7-15(2,3)13-16/h14,17H,4-12H2,1-3H3
InChIKeyRGIDRNSZVCLJHH-UHFFFAOYSA-N
MW251.42 g/mol
LogP2.64
Rot. Bonds7

About 2,2-dimethyl-4-[3-(propylaminomethyl)piperidin-1-yl]butanenitrile

2,2-dimethyl-4-[3-(propylaminomethyl)piperidin-1-yl]butanenitrile (PubChem CID 65252040) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 2,2-dimethyl-4-[3-(propylaminomethyl)piperidin-1-yl]butanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-4-[3-(propylaminomethyl)piperidin-1-yl]butanenitrile
PubChem CID65252040
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name2,2-dimethyl-4-[3-(propylaminomethyl)piperidin-1-yl]butanenitrile
SMILESCCCNCC1CCCN(CCC(C)(C)C#N)C1
InChIInChI=1S/C15H29N3/c1-4-8-17-11-14-6-5-9-18(12-14)10-7-15(2,3)13-16/h14,17H,4-12H2,1-3H3
InChIKeyRGIDRNSZVCLJHH-UHFFFAOYSA-N
XLogP2.64
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-5-[3-(propylaminomethyl)piperidin-1-yl]pentanenitrile
CID 65254674
4-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-2,2-dimethylbutanenitrile
CID 65251196
2-[1-(3-cyano-3-methylbutyl)piperidin-3-yl]acetic acid
CID 65250925
N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]methyl]propan-1-amine
CID 62582031
N-[(1-decylpiperidin-3-yl)methyl]propan-1-amine
CID 63528370
4-[(3S)-3-hydroxypiperidin-1-yl]-2,2-dimethylbutanenitrile
CID 107225980
N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]propan-1-amine
CID 62581675
2,2-dimethyl-4-[3-(methylamino)piperidin-1-yl]butanenitrile
CID 65250985
4-[3-(ethylaminomethyl)piperidin-1-yl]-2-methylbutan-2-ol
CID 79354793
2-[1-(4-cyano-4-methylpentyl)piperidin-3-yl]acetic acid
CID 65256104
N-methyl-4-[3-(propylaminomethyl)piperidin-1-yl]butanamide
CID 63890612
2,2-dimethyl-5-[(1-methylpyrrolidin-3-yl)methylamino]pentanenitrile
CID 65254297

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[3-(propylaminomethyl)piperidin-1-yl]butanenitrile?
The IUPAC name of 2,2-dimethyl-4-[3-(propylaminomethyl)piperidin-1-yl]butanenitrile (CID 65252040) is 2,2-dimethyl-4-[3-(propylaminomethyl)piperidin-1-yl]butanenitrile.
What is the SMILES notation for 2,2-dimethyl-4-[3-(propylaminomethyl)piperidin-1-yl]butanenitrile?
The canonical SMILES for 2,2-dimethyl-4-[3-(propylaminomethyl)piperidin-1-yl]butanenitrile is CCCNCC1CCCN(CCC(C)(C)C#N)C1.
What is the InChIKey of 2,2-dimethyl-4-[3-(propylaminomethyl)piperidin-1-yl]butanenitrile?
The InChIKey is RGIDRNSZVCLJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-4-8-17-11-14-6-5-9-18(12-14)10-7-15(2,3)13-16/h14,17H,4-12H2,1-3H3.
What are the key properties of 2,2-dimethyl-4-[3-(propylaminomethyl)piperidin-1-yl]butanenitrile?
2,2-dimethyl-4-[3-(propylaminomethyl)piperidin-1-yl]butanenitrile has a molecular weight of 251.42 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[3-(propylaminomethyl)piperidin-1-yl]butanenitrile is sourced from PubChem (CID 65252040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).