2-(4-amino-1-methylpiperidin-3-yl)acetonitrile

C8H15N3 — CID 105429954

IUPAC2-(4-amino-1-methylpiperidin-3-yl)acetonitrile
SMILESCN1CCC(N)C(CC#N)C1
InChIInChI=1S/C8H15N3/c1-11-5-3-8(10)7(6-11)2-4-9/h7-8H,2-3,5-6,10H2,1H3
InChIKeyOGZLAUCYUCZFNX-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.18
Rot. Bonds1

About 2-(4-amino-1-methylpiperidin-3-yl)acetonitrile

2-(4-amino-1-methylpiperidin-3-yl)acetonitrile (PubChem CID 105429954) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 2-(4-amino-1-methylpiperidin-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-amino-1-methylpiperidin-3-yl)acetonitrile
PubChem CID105429954
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name2-(4-amino-1-methylpiperidin-3-yl)acetonitrile
SMILESCN1CCC(N)C(CC#N)C1
InChIInChI=1S/C8H15N3/c1-11-5-3-8(10)7(6-11)2-4-9/h7-8H,2-3,5-6,10H2,1H3
InChIKeyOGZLAUCYUCZFNX-UHFFFAOYSA-N
XLogP0.18
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-hydroxy-1-methylpiperidin-4-yl)acetonitrile
CID 105430088
(4R)-1-methylpiperidine-3,4-diamine
CID 145189555
(3R,4R)-1,3-dimethylpiperidin-4-amine
CID 98186941
1,3-dimethylpiperidin-4-amine;dihydrochloride
CID 53407082
1-methyl-3-[(4-methylphenyl)methyl]piperidin-4-amine
CID 82393171
3-(1-methylpyrrolidin-3-yl)-3-oxopropanenitrile
CID 116919095
2-(4-amino-3-ethylpiperidin-1-yl)acetonitrile
CID 81459551
(3S,4R)-4-amino-1-methylpiperidin-3-ol;ethane
CID 145443394
2-(2-ethyl-1-methylpyrrolidin-3-yl)acetonitrile
CID 83845546
3-[(2-ethylpiperidin-1-yl)methyl]-1-methylpiperidin-4-amine
CID 82171534
2-[1-(2-aminoacetyl)-4-methylpiperazin-2-yl]acetonitrile
CID 164904599
(3R)-1-methylpyrrolidine-3-carbonitrile
CID 67523043

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-1-methylpiperidin-3-yl)acetonitrile?
The IUPAC name of 2-(4-amino-1-methylpiperidin-3-yl)acetonitrile (CID 105429954) is 2-(4-amino-1-methylpiperidin-3-yl)acetonitrile.
What is the SMILES notation for 2-(4-amino-1-methylpiperidin-3-yl)acetonitrile?
The canonical SMILES for 2-(4-amino-1-methylpiperidin-3-yl)acetonitrile is CN1CCC(N)C(CC#N)C1.
What is the InChIKey of 2-(4-amino-1-methylpiperidin-3-yl)acetonitrile?
The InChIKey is OGZLAUCYUCZFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-11-5-3-8(10)7(6-11)2-4-9/h7-8H,2-3,5-6,10H2,1H3.
What are the key properties of 2-(4-amino-1-methylpiperidin-3-yl)acetonitrile?
2-(4-amino-1-methylpiperidin-3-yl)acetonitrile has a molecular weight of 153.23 g/mol, XLogP of 0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-1-methylpiperidin-3-yl)acetonitrile is sourced from PubChem (CID 105429954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).