[2-[(1S)-1-aminopropyl]-4-pyridinyl]methanol

C9H14N2O — CID 130677514

IUPAC[2-[(1S)-1-aminopropyl]-4-pyridinyl]methanol
SMILESCC[C@H](N)c1cc(CO)ccn1
InChIInChI=1S/C9H14N2O/c1-2-8(10)9-5-7(6-12)3-4-11-9/h3-5,8,12H,2,6,10H2,1H3/t8-/m0/s1
InChIKeyNUBJOCGWTSBNCV-QMMMGPOBSA-N
MW166.22 g/mol
LogP0.98
Rot. Bonds3

About [2-[(1S)-1-aminopropyl]-4-pyridinyl]methanol

[2-[(1S)-1-aminopropyl]-4-pyridinyl]methanol (PubChem CID 130677514) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is [2-[(1S)-1-aminopropyl]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-[(1S)-1-aminopropyl]-4-pyridinyl]methanol
PubChem CID130677514
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name[2-[(1S)-1-aminopropyl]-4-pyridinyl]methanol
SMILESCC[C@H](N)c1cc(CO)ccn1
InChIInChI=1S/C9H14N2O/c1-2-8(10)9-5-7(6-12)3-4-11-9/h3-5,8,12H,2,6,10H2,1H3/t8-/m0/s1
InChIKeyNUBJOCGWTSBNCV-QMMMGPOBSA-N
XLogP0.98
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-2-[4-(hydroxymethyl)-2-pyridinyl]ethanol
CID 55262518
[2-(1-aminoprop-2-enyl)-4-pyridinyl]methanol
CID 55292388
[2-[(R)-amino(cyclopropyl)methyl]-4-pyridinyl]methanol
CID 55277194
2-(1-aminopropyl)pyridine-4-carbaldehyde
CID 123521496
1-[4-(hydroxymethyl)-2-pyridinyl]propane-1,2,3-triol
CID 170817640
tert-butyl 2-[(1R)-1-aminopropyl]pyridine-4-carboxylate
CID 66935363
(1S)-1-pyridin-2-ylpropan-1-amine;dihydrochloride
CID 122236499
[3-[(1S)-1-aminopropyl]-4-methylphenyl]methanol
CID 130674225
(2-methyl-4-pyridinyl)methanol;hydrochloride
CID 171364039
[1-[4-(hydroxymethyl)-2-pyridinyl]-2,2-dimethylpropyl]carbamic acid
CID 118291945
tris([2-[4-(hydroxymethyl)-2-pyridinyl]-4-pyridinyl]methanol);ruthenium(2+);dichloride
CID 170900756
2-ethoxy-1-(4-methyl-2-pyridinyl)ethanamine
CID 79575554

Frequently Asked Questions

What is the IUPAC name of [2-[(1S)-1-aminopropyl]-4-pyridinyl]methanol?
The IUPAC name of [2-[(1S)-1-aminopropyl]-4-pyridinyl]methanol (CID 130677514) is [2-[(1S)-1-aminopropyl]-4-pyridinyl]methanol.
What is the SMILES notation for [2-[(1S)-1-aminopropyl]-4-pyridinyl]methanol?
The canonical SMILES for [2-[(1S)-1-aminopropyl]-4-pyridinyl]methanol is CC[C@H](N)c1cc(CO)ccn1.
What is the InChIKey of [2-[(1S)-1-aminopropyl]-4-pyridinyl]methanol?
The InChIKey is NUBJOCGWTSBNCV-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H14N2O/c1-2-8(10)9-5-7(6-12)3-4-11-9/h3-5,8,12H,2,6,10H2,1H3/t8-/m0/s1.
What are the key properties of [2-[(1S)-1-aminopropyl]-4-pyridinyl]methanol?
[2-[(1S)-1-aminopropyl]-4-pyridinyl]methanol has a molecular weight of 166.22 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1S)-1-aminopropyl]-4-pyridinyl]methanol is sourced from PubChem (CID 130677514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).