2-[1-[2-(aminomethyl)-4-pyridinyl]piperidin-2-yl]ethanol

C13H21N3O — CID 62925861

IUPAC2-[1-[2-(aminomethyl)-4-pyridinyl]piperidin-2-yl]ethanol
SMILESNCc1cc(N2CCCCC2CCO)ccn1
InChIInChI=1S/C13H21N3O/c14-10-11-9-13(4-6-15-11)16-7-2-1-3-12(16)5-8-17/h4,6,9,12,17H,1-3,5,7-8,10,14H2
InChIKeyHFDRFOHRMNSXST-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.28
Rot. Bonds4

About 2-[1-[2-(aminomethyl)-4-pyridinyl]piperidin-2-yl]ethanol

2-[1-[2-(aminomethyl)-4-pyridinyl]piperidin-2-yl]ethanol (PubChem CID 62925861) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[1-[2-(aminomethyl)-4-pyridinyl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[2-(aminomethyl)-4-pyridinyl]piperidin-2-yl]ethanol
PubChem CID62925861
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[1-[2-(aminomethyl)-4-pyridinyl]piperidin-2-yl]ethanol
SMILESNCc1cc(N2CCCCC2CCO)ccn1
InChIInChI=1S/C13H21N3O/c14-10-11-9-13(4-6-15-11)16-7-2-1-3-12(16)5-8-17/h4,6,9,12,17H,1-3,5,7-8,10,14H2
InChIKeyHFDRFOHRMNSXST-UHFFFAOYSA-N
XLogP1.28
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 ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-ethylazepan-1-yl)-2-pyridinyl]methanamine
CID 113441573
[1-(2-ethyl-4-pyridinyl)piperidin-2-yl]methanamine
CID 83837398
[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]methanamine
CID 65319251
4-[2-(hydroxymethyl)azepan-1-yl]pyridine-2-carbothioamide
CID 116634846
2-[1-(4-amino-3-methylphenyl)piperidin-2-yl]ethanol
CID 43436167
4-[2-(2-aminoethyl)piperidin-1-yl]-N-ethylpyridine-2-carboxamide
CID 63766258
[1-(2-chloro-4-pyridinyl)azepan-2-yl]methanol
CID 102824406
2-[1-[4-(aminomethyl)-3-bromophenyl]pyrrolidin-2-yl]ethanol
CID 112747807
2-[1-(3,4-dichlorophenyl)pyrrolidin-2-yl]ethanol
CID 117028575
2-chloro-4-(2-propylpiperidin-1-yl)pyridine
CID 104577128
2-[1-(3-methylpyrazin-2-yl)piperidin-2-yl]ethanol
CID 83064794
4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pyridine-2-carboximidamide
CID 62925971

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(aminomethyl)-4-pyridinyl]piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-[2-(aminomethyl)-4-pyridinyl]piperidin-2-yl]ethanol (CID 62925861) is 2-[1-[2-(aminomethyl)-4-pyridinyl]piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[2-(aminomethyl)-4-pyridinyl]piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-[2-(aminomethyl)-4-pyridinyl]piperidin-2-yl]ethanol is NCc1cc(N2CCCCC2CCO)ccn1.
What is the InChIKey of 2-[1-[2-(aminomethyl)-4-pyridinyl]piperidin-2-yl]ethanol?
The InChIKey is HFDRFOHRMNSXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c14-10-11-9-13(4-6-15-11)16-7-2-1-3-12(16)5-8-17/h4,6,9,12,17H,1-3,5,7-8,10,14H2.
What are the key properties of 2-[1-[2-(aminomethyl)-4-pyridinyl]piperidin-2-yl]ethanol?
2-[1-[2-(aminomethyl)-4-pyridinyl]piperidin-2-yl]ethanol has a molecular weight of 235.33 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(aminomethyl)-4-pyridinyl]piperidin-2-yl]ethanol is sourced from PubChem (CID 62925861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).