[1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperidin-2-yl]methanol

C13H21N3O — CID 83122235

IUPAC[1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperidin-2-yl]methanol
SMILESC[C@@H](N)c1ccc(N2CCCCC2CO)cn1
InChIInChI=1S/C13H21N3O/c1-10(14)13-6-5-11(8-15-13)16-7-3-2-4-12(16)9-17/h5-6,8,10,12,17H,2-4,7,9,14H2,1H3/t10-,12?/m1/s1
InChIKeyIMPHUQUGWQTVDL-RWANSRKNSA-N
MW235.33 g/mol
LogP1.45
Rot. Bonds3

About [1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperidin-2-yl]methanol

[1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperidin-2-yl]methanol (PubChem CID 83122235) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is [1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperidin-2-yl]methanol
PubChem CID83122235
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name[1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperidin-2-yl]methanol
SMILESC[C@@H](N)c1ccc(N2CCCCC2CO)cn1
InChIInChI=1S/C13H21N3O/c1-10(14)13-6-5-11(8-15-13)16-7-3-2-4-12(16)9-17/h5-6,8,10,12,17H,2-4,7,9,14H2,1H3/t10-,12?/m1/s1
InChIKeyIMPHUQUGWQTVDL-RWANSRKNSA-N
XLogP1.45
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]pyrrolidin-2-yl]propan-1-ol
CID 83122786
1-[5-(2-methylpiperidin-1-yl)-2-pyridinyl]ethanamine
CID 83122710
[1-[6-[1-(ethylamino)ethyl]-3-pyridinyl]pyrrolidin-2-yl]methanol
CID 83122489
5-[2-(hydroxymethyl)azepan-1-yl]pyridine-2-carbothioamide
CID 116634835
(1S)-1-[5-(2-ethylpyrrolidin-1-yl)-2-pyridinyl]ethanol
CID 83132296
1-[5-(3-ethylmorpholin-4-yl)-2-pyridinyl]ethanamine
CID 83122399
(1R)-1-[5-(azepan-1-yl)-2-pyridinyl]ethanamine
CID 83123042
3-[1-[6-[(1R)-1-aminopropyl]-3-pyridinyl]pyrrolidin-2-yl]propan-1-ol
CID 103937288
(1R)-1-[5-(2-methylazepan-1-yl)-2-pyridinyl]propan-1-amine
CID 103937411
1-[6-(1-aminoethyl)-3-pyridinyl]piperidin-4-ol
CID 83122211
1-[6-[(1S)-1-aminoethyl]-3-pyridinyl]piperidin-3-ol
CID 83122329
3-[1-[6-[1-(methylamino)ethyl]-3-pyridinyl]pyrrolidin-2-yl]propan-1-ol
CID 83122531

Frequently Asked Questions

What is the IUPAC name of [1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperidin-2-yl]methanol (CID 83122235) is [1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperidin-2-yl]methanol is C[C@@H](N)c1ccc(N2CCCCC2CO)cn1.
What is the InChIKey of [1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperidin-2-yl]methanol?
The InChIKey is IMPHUQUGWQTVDL-RWANSRKNSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10(14)13-6-5-11(8-15-13)16-7-3-2-4-12(16)9-17/h5-6,8,10,12,17H,2-4,7,9,14H2,1H3/t10-,12?/m1/s1.
What are the key properties of [1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperidin-2-yl]methanol?
[1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperidin-2-yl]methanol has a molecular weight of 235.33 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperidin-2-yl]methanol is sourced from PubChem (CID 83122235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).