3-[4-(aminomethyl)piperidin-1-yl]-2,2-dimethylpropanenitrile

C11H21N3 — CID 164647316

IUPAC3-[4-(aminomethyl)piperidin-1-yl]-2,2-dimethylpropanenitrile
SMILESCC(C)(C#N)CN1CCC(CN)CC1
InChIInChI=1S/C11H21N3/c1-11(2,8-13)9-14-5-3-10(7-12)4-6-14/h10H,3-7,9,12H2,1-2H3
InChIKeyAPBWPPULCJKVAY-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.21
Rot. Bonds3

About 3-[4-(aminomethyl)piperidin-1-yl]-2,2-dimethylpropanenitrile

3-[4-(aminomethyl)piperidin-1-yl]-2,2-dimethylpropanenitrile (PubChem CID 164647316) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-[4-(aminomethyl)piperidin-1-yl]-2,2-dimethylpropanenitrile.

Molecular Properties

Compound Name3-[4-(aminomethyl)piperidin-1-yl]-2,2-dimethylpropanenitrile
PubChem CID164647316
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name3-[4-(aminomethyl)piperidin-1-yl]-2,2-dimethylpropanenitrile
SMILESCC(C)(C#N)CN1CCC(CN)CC1
InChIInChI=1S/C11H21N3/c1-11(2,8-13)9-14-5-3-10(7-12)4-6-14/h10H,3-7,9,12H2,1-2H3
InChIKeyAPBWPPULCJKVAY-UHFFFAOYSA-N
XLogP1.21
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(aminomethyl)piperidin-1-yl]-2,2-dimethylbutanenitrile
CID 65250779
[1-(3-methoxy-2,2-dimethylpropyl)piperidin-4-yl]methanamine
CID 22236505
3-(3-azabicyclo[4.1.0]heptan-3-yl)-2,2-dimethylpropanenitrile
CID 164651835
4-[4-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylbutanenitrile
CID 65251805
2-[[4-(aminomethyl)piperidin-1-yl]methyl]-3,3,3-trifluoropropanenitrile
CID 103371723
2-amino-2-cyclopropyl-3-(4-ethylpiperidin-1-yl)propanenitrile
CID 63912714
2-[1-(2,2-difluoropropyl)piperidin-4-yl]acetonitrile
CID 84670665
2-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]acetonitrile
CID 94342020
5-[(3S)-3-aminopyrrolidin-1-yl]-2,2-dimethylpentanenitrile
CID 115302336
2,2-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanenitrile
CID 65251719
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylbutan-2-ol
CID 114496411
[1-(cyclopropylmethyl)piperidin-4-yl]methanamine;hydrochloride
CID 163375972

Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)piperidin-1-yl]-2,2-dimethylpropanenitrile?
The IUPAC name of 3-[4-(aminomethyl)piperidin-1-yl]-2,2-dimethylpropanenitrile (CID 164647316) is 3-[4-(aminomethyl)piperidin-1-yl]-2,2-dimethylpropanenitrile.
What is the SMILES notation for 3-[4-(aminomethyl)piperidin-1-yl]-2,2-dimethylpropanenitrile?
The canonical SMILES for 3-[4-(aminomethyl)piperidin-1-yl]-2,2-dimethylpropanenitrile is CC(C)(C#N)CN1CCC(CN)CC1.
What is the InChIKey of 3-[4-(aminomethyl)piperidin-1-yl]-2,2-dimethylpropanenitrile?
The InChIKey is APBWPPULCJKVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-11(2,8-13)9-14-5-3-10(7-12)4-6-14/h10H,3-7,9,12H2,1-2H3.
What are the key properties of 3-[4-(aminomethyl)piperidin-1-yl]-2,2-dimethylpropanenitrile?
3-[4-(aminomethyl)piperidin-1-yl]-2,2-dimethylpropanenitrile has a molecular weight of 195.31 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)piperidin-1-yl]-2,2-dimethylpropanenitrile is sourced from PubChem (CID 164647316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).