3-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]propanenitrile

C9H17N3O — CID 131034547

IUPAC3-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]propanenitrile
SMILESN#CCCN1CCC(O)(CN)CC1
InChIInChI=1S/C9H17N3O/c10-4-1-5-12-6-2-9(13,8-11)3-7-12/h13H,1-3,5-8,11H2
InChIKeyONTXPOIZIQQZSR-UHFFFAOYSA-N
MW183.25 g/mol
LogP-0.31
Rot. Bonds3

About 3-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]propanenitrile

3-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]propanenitrile (PubChem CID 131034547) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]propanenitrile
PubChem CID131034547
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name3-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]propanenitrile
SMILESN#CCCN1CCC(O)(CN)CC1
InChIInChI=1S/C9H17N3O/c10-4-1-5-12-6-2-9(13,8-11)3-7-12/h13H,1-3,5-8,11H2
InChIKeyONTXPOIZIQQZSR-UHFFFAOYSA-N
XLogP-0.31
TPSA73.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-hydroxy-4-methylpiperidin-1-yl)propanenitrile
CID 115825972
4-(aminomethyl)-1-(3-methylbutyl)piperidin-4-ol
CID 82282305
2-(4-hydroxy-1-propylpiperidin-4-yl)acetonitrile
CID 79116476
3-[4-(diaminomethylidene)piperazin-4-ium-1-yl]propanenitrile
CID 7023658
3-(4-methylpiperazin-1-yl)propanenitrile;dihydrochloride
CID 3050145
2-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]acetonitrile
CID 130671976
3-[4-(hydroxymethyl)piperidin-1-yl]propanenitrile
CID 43133161
5-(4-hydroxy-4-methylazepan-1-yl)pentanenitrile
CID 107404558
3-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]propanenitrile
CID 126774942
3-(3-methyl-3-propan-2-ylpyrrolidin-1-yl)propanenitrile
CID 170709237
4-(aminomethyl)-1-(2-phenoxyethyl)piperidin-4-ol
CID 95461531
1-(2-cyanoethyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63148826

Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]propanenitrile?
The IUPAC name of 3-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]propanenitrile (CID 131034547) is 3-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]propanenitrile.
What is the SMILES notation for 3-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]propanenitrile?
The canonical SMILES for 3-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]propanenitrile is N#CCCN1CCC(O)(CN)CC1.
What is the InChIKey of 3-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]propanenitrile?
The InChIKey is ONTXPOIZIQQZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c10-4-1-5-12-6-2-9(13,8-11)3-7-12/h13H,1-3,5-8,11H2.
What are the key properties of 3-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]propanenitrile?
3-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]propanenitrile has a molecular weight of 183.25 g/mol, XLogP of -0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]propanenitrile is sourced from PubChem (CID 131034547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).