1-benzyl-4-[(oxolan-2-ylmethylamino)methyl]-2H-pyridin-3-ol

C18H24N2O2 — CID 154333958

IUPAC1-benzyl-4-[(oxolan-2-ylmethylamino)methyl]-2H-pyridin-3-ol
SMILESOC1=C(CNCC2CCCO2)C=CN(Cc2ccccc2)C1
InChIInChI=1S/C18H24N2O2/c21-18-14-20(13-15-5-2-1-3-6-15)9-8-16(18)11-19-12-17-7-4-10-22-17/h1-3,5-6,8-9,17,19,21H,4,7,10-14H2
InChIKeyCLUFJGUZDMSASY-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.60
Rot. Bonds6

About 1-benzyl-4-[(oxolan-2-ylmethylamino)methyl]-2H-pyridin-3-ol

1-benzyl-4-[(oxolan-2-ylmethylamino)methyl]-2H-pyridin-3-ol (PubChem CID 154333958) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-benzyl-4-[(oxolan-2-ylmethylamino)methyl]-2H-pyridin-3-ol.

Molecular Properties

Compound Name1-benzyl-4-[(oxolan-2-ylmethylamino)methyl]-2H-pyridin-3-ol
PubChem CID154333958
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name1-benzyl-4-[(oxolan-2-ylmethylamino)methyl]-2H-pyridin-3-ol
SMILESOC1=C(CNCC2CCCO2)C=CN(Cc2ccccc2)C1
InChIInChI=1S/C18H24N2O2/c21-18-14-20(13-15-5-2-1-3-6-15)9-8-16(18)11-19-12-17-7-4-10-22-17/h1-3,5-6,8-9,17,19,21H,4,7,10-14H2
InChIKeyCLUFJGUZDMSASY-UHFFFAOYSA-N
XLogP2.60
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-benzylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 27210541
N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 124814533
2-[(oxolan-2-ylmethylamino)methyl]benzene-1,3-diol
CID 45093757
N-[(4-chlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 787812
N-benzyl-2-(oxan-2-ylmethylamino)acetamide
CID 60971571
N-[[4-(chloromethyl)phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 107232896
N'-benzyl-N-(oxolan-2-ylmethyl)oxamide
CID 21211581
N-(furan-3-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 3156818
N-[(3,5-dibromo-4-phenylmethoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
CID 17157403
N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 7324570
3-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)-4-phenylbutan-1-amine;oxalic acid
CID 44667641
1-[(3-chlorophenyl)methyl]-3-[(oxolan-2-ylmethylamino)methyl]indole-2-carboxylic acid
CID 126457150

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(oxolan-2-ylmethylamino)methyl]-2H-pyridin-3-ol?
The IUPAC name of 1-benzyl-4-[(oxolan-2-ylmethylamino)methyl]-2H-pyridin-3-ol (CID 154333958) is 1-benzyl-4-[(oxolan-2-ylmethylamino)methyl]-2H-pyridin-3-ol.
What is the SMILES notation for 1-benzyl-4-[(oxolan-2-ylmethylamino)methyl]-2H-pyridin-3-ol?
The canonical SMILES for 1-benzyl-4-[(oxolan-2-ylmethylamino)methyl]-2H-pyridin-3-ol is OC1=C(CNCC2CCCO2)C=CN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-4-[(oxolan-2-ylmethylamino)methyl]-2H-pyridin-3-ol?
The InChIKey is CLUFJGUZDMSASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c21-18-14-20(13-15-5-2-1-3-6-15)9-8-16(18)11-19-12-17-7-4-10-22-17/h1-3,5-6,8-9,17,19,21H,4,7,10-14H2.
What are the key properties of 1-benzyl-4-[(oxolan-2-ylmethylamino)methyl]-2H-pyridin-3-ol?
1-benzyl-4-[(oxolan-2-ylmethylamino)methyl]-2H-pyridin-3-ol has a molecular weight of 300.40 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(oxolan-2-ylmethylamino)methyl]-2H-pyridin-3-ol is sourced from PubChem (CID 154333958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).