2-[1-[6-(aminomethyl)-3-pyridinyl]piperidin-3-yl]ethanol

C13H21N3O — CID 107227098

IUPAC2-[1-[6-(aminomethyl)-3-pyridinyl]piperidin-3-yl]ethanol
SMILESNCc1ccc(N2CCCC(CCO)C2)cn1
InChIInChI=1S/C13H21N3O/c14-8-12-3-4-13(9-15-12)16-6-1-2-11(10-16)5-7-17/h3-4,9,11,17H,1-2,5-8,10,14H2
InChIKeyFXERRRYGYZJUDH-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.14
Rot. Bonds4

About 2-[1-[6-(aminomethyl)-3-pyridinyl]piperidin-3-yl]ethanol

2-[1-[6-(aminomethyl)-3-pyridinyl]piperidin-3-yl]ethanol (PubChem CID 107227098) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[1-[6-(aminomethyl)-3-pyridinyl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[6-(aminomethyl)-3-pyridinyl]piperidin-3-yl]ethanol
PubChem CID107227098
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[1-[6-(aminomethyl)-3-pyridinyl]piperidin-3-yl]ethanol
SMILESNCc1ccc(N2CCCC(CCO)C2)cn1
InChIInChI=1S/C13H21N3O/c14-8-12-3-4-13(9-15-12)16-6-1-2-11(10-16)5-7-17/h3-4,9,11,17H,1-2,5-8,10,14H2
InChIKeyFXERRRYGYZJUDH-UHFFFAOYSA-N
XLogP1.14
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[4-(aminomethyl)phenyl]piperidin-3-yl]ethanol
CID 107227081
2-[1-[6-[1-(methylamino)ethyl]-3-pyridinyl]piperidin-3-yl]ethanol
CID 107227793
2-[1-(4-fluorophenyl)piperidin-3-yl]ethanol
CID 117025995
2-[1-(2-amino-4-pyridinyl)piperidin-3-yl]ethanol
CID 107229186
2-[1-[3-(aminomethyl)pyrazin-2-yl]piperidin-3-yl]ethanol
CID 107227067
2-[1-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]piperidin-3-yl]ethanol
CID 107227083
5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 114797982
2-[1-[3-(aminomethyl)quinolin-4-yl]piperidin-3-yl]ethanol
CID 107227097
2-[1-(4-aminopyrimidin-2-yl)piperidin-3-yl]ethanol
CID 107229189
2-[1-(6-methylpyridazin-4-yl)piperidin-3-yl]ethanol
CID 57015018
[1-[6-[(1R)-1-aminopropyl]-3-pyridinyl]piperidin-3-yl]methanol
CID 103937018
2-[1-[4-amino-3-(trifluoromethyl)phenyl]piperidin-3-yl]ethanol
CID 107226950

Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-(aminomethyl)-3-pyridinyl]piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-[6-(aminomethyl)-3-pyridinyl]piperidin-3-yl]ethanol (CID 107227098) is 2-[1-[6-(aminomethyl)-3-pyridinyl]piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[6-(aminomethyl)-3-pyridinyl]piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[6-(aminomethyl)-3-pyridinyl]piperidin-3-yl]ethanol is NCc1ccc(N2CCCC(CCO)C2)cn1.
What is the InChIKey of 2-[1-[6-(aminomethyl)-3-pyridinyl]piperidin-3-yl]ethanol?
The InChIKey is FXERRRYGYZJUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c14-8-12-3-4-13(9-15-12)16-6-1-2-11(10-16)5-7-17/h3-4,9,11,17H,1-2,5-8,10,14H2.
What are the key properties of 2-[1-[6-(aminomethyl)-3-pyridinyl]piperidin-3-yl]ethanol?
2-[1-[6-(aminomethyl)-3-pyridinyl]piperidin-3-yl]ethanol has a molecular weight of 235.33 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[6-(aminomethyl)-3-pyridinyl]piperidin-3-yl]ethanol is sourced from PubChem (CID 107227098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).