4-[4-(aminomethyl)piperidin-1-yl]-2,2-dimethylbutanenitrile

C12H23N3 — CID 65250779

IUPAC4-[4-(aminomethyl)piperidin-1-yl]-2,2-dimethylbutanenitrile
SMILESCC(C)(C#N)CCN1CCC(CN)CC1
InChIInChI=1S/C12H23N3/c1-12(2,10-14)5-8-15-6-3-11(9-13)4-7-15/h11H,3-9,13H2,1-2H3
InChIKeyXIBJVYVAHICXRL-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.60
Rot. Bonds4

About 4-[4-(aminomethyl)piperidin-1-yl]-2,2-dimethylbutanenitrile

4-[4-(aminomethyl)piperidin-1-yl]-2,2-dimethylbutanenitrile (PubChem CID 65250779) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 4-[4-(aminomethyl)piperidin-1-yl]-2,2-dimethylbutanenitrile.

Molecular Properties

Compound Name4-[4-(aminomethyl)piperidin-1-yl]-2,2-dimethylbutanenitrile
PubChem CID65250779
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name4-[4-(aminomethyl)piperidin-1-yl]-2,2-dimethylbutanenitrile
SMILESCC(C)(C#N)CCN1CCC(CN)CC1
InChIInChI=1S/C12H23N3/c1-12(2,10-14)5-8-15-6-3-11(9-13)4-7-15/h11H,3-9,13H2,1-2H3
InChIKeyXIBJVYVAHICXRL-UHFFFAOYSA-N
XLogP1.60
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylbutanenitrile
CID 65251805
3-[4-(aminomethyl)piperidin-1-yl]-2,2-dimethylpropanenitrile
CID 164647316
2,2-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanenitrile
CID 65251719
2,2-dimethyl-4-(4-propan-2-ylpiperidin-1-yl)butanenitrile
CID 103925448
2,2-dimethyl-4-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]butanenitrile
CID 65251983
2,2-dimethyl-4-thiomorpholin-4-ylbutanenitrile
CID 65251203
5-[(3S)-3-aminopyrrolidin-1-yl]-2,2-dimethylpentanenitrile
CID 115302336
5-(4-ethylazepan-1-yl)-2,2-dimethylpentanenitrile
CID 65257368
2,2-dimethyl-6-[4-[2-(methylamino)ethyl]piperidin-1-yl]hexanenitrile
CID 106713395
2,2-dimethyl-5-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile
CID 65255387
4-[(3S)-3-hydroxypiperidin-1-yl]-2,2-dimethylbutanenitrile
CID 107225980
2,2-dimethyl-4-[3-(methylamino)piperidin-1-yl]butanenitrile
CID 65250985

Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)piperidin-1-yl]-2,2-dimethylbutanenitrile?
The IUPAC name of 4-[4-(aminomethyl)piperidin-1-yl]-2,2-dimethylbutanenitrile (CID 65250779) is 4-[4-(aminomethyl)piperidin-1-yl]-2,2-dimethylbutanenitrile.
What is the SMILES notation for 4-[4-(aminomethyl)piperidin-1-yl]-2,2-dimethylbutanenitrile?
The canonical SMILES for 4-[4-(aminomethyl)piperidin-1-yl]-2,2-dimethylbutanenitrile is CC(C)(C#N)CCN1CCC(CN)CC1.
What is the InChIKey of 4-[4-(aminomethyl)piperidin-1-yl]-2,2-dimethylbutanenitrile?
The InChIKey is XIBJVYVAHICXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-12(2,10-14)5-8-15-6-3-11(9-13)4-7-15/h11H,3-9,13H2,1-2H3.
What are the key properties of 4-[4-(aminomethyl)piperidin-1-yl]-2,2-dimethylbutanenitrile?
4-[4-(aminomethyl)piperidin-1-yl]-2,2-dimethylbutanenitrile has a molecular weight of 209.34 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)piperidin-1-yl]-2,2-dimethylbutanenitrile is sourced from PubChem (CID 65250779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).