4-[(pyridin-4-ylmethylamino)methyl]oxan-4-ol

C12H18N2O2 — CID 78928948

IUPAC4-[(pyridin-4-ylmethylamino)methyl]oxan-4-ol
SMILESOC1(CNCc2ccncc2)CCOCC1
InChIInChI=1S/C12H18N2O2/c15-12(3-7-16-8-4-12)10-14-9-11-1-5-13-6-2-11/h1-2,5-6,14-15H,3-4,7-10H2
InChIKeyGAUNSDPGTLZBQG-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.71
Rot. Bonds4

About 4-[(pyridin-4-ylmethylamino)methyl]oxan-4-ol

4-[(pyridin-4-ylmethylamino)methyl]oxan-4-ol (PubChem CID 78928948) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-[(pyridin-4-ylmethylamino)methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[(pyridin-4-ylmethylamino)methyl]oxan-4-ol
PubChem CID78928948
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name4-[(pyridin-4-ylmethylamino)methyl]oxan-4-ol
SMILESOC1(CNCc2ccncc2)CCOCC1
InChIInChI=1S/C12H18N2O2/c15-12(3-7-16-8-4-12)10-14-9-11-1-5-13-6-2-11/h1-2,5-6,14-15H,3-4,7-10H2
InChIKeyGAUNSDPGTLZBQG-UHFFFAOYSA-N
XLogP0.71
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[(4-hydroxyoxan-4-yl)methylamino]methyl]phenyl]acetic acid
CID 103257030
4-[[[4-(methoxymethyl)phenyl]methylamino]methyl]oxan-4-ol
CID 79032435
4-hydroxy-4-[(pyridin-4-ylmethylamino)methyl]cyclohexane-1-carboxylic acid
CID 106499063
N-[[4-(4-bromophenyl)oxan-4-yl]methyl]-1-pyridin-4-ylmethanamine
CID 119107255
4-[(thiophen-2-ylmethylamino)methyl]oxan-4-ol
CID 78928808
4-[[(3-methylphenyl)methylamino]methyl]oxan-4-ol
CID 78928927
3-[[(4-trimethylsilylphenyl)methylamino]methyl]oxolan-3-ol
CID 106100480
4-[[(2-hydroxyphenyl)methylamino]methyl]oxan-4-ol
CID 78929051
4-[(1,3-oxazol-5-ylmethylamino)methyl]oxan-4-ol
CID 81130244
4-[[(3,5-difluoro-4-hydroxyphenyl)methylamino]methyl]oxan-4-ol
CID 79832590
4-[[[4-(2-methylpropoxy)phenyl]methylamino]methyl]oxan-4-ol
CID 111106413
4-[[(3-fluoro-4-nitrophenyl)methylamino]methyl]oxan-4-ol
CID 81130281

Frequently Asked Questions

What is the IUPAC name of 4-[(pyridin-4-ylmethylamino)methyl]oxan-4-ol?
The IUPAC name of 4-[(pyridin-4-ylmethylamino)methyl]oxan-4-ol (CID 78928948) is 4-[(pyridin-4-ylmethylamino)methyl]oxan-4-ol.
What is the SMILES notation for 4-[(pyridin-4-ylmethylamino)methyl]oxan-4-ol?
The canonical SMILES for 4-[(pyridin-4-ylmethylamino)methyl]oxan-4-ol is OC1(CNCc2ccncc2)CCOCC1.
What is the InChIKey of 4-[(pyridin-4-ylmethylamino)methyl]oxan-4-ol?
The InChIKey is GAUNSDPGTLZBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c15-12(3-7-16-8-4-12)10-14-9-11-1-5-13-6-2-11/h1-2,5-6,14-15H,3-4,7-10H2.
What are the key properties of 4-[(pyridin-4-ylmethylamino)methyl]oxan-4-ol?
4-[(pyridin-4-ylmethylamino)methyl]oxan-4-ol has a molecular weight of 222.29 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(pyridin-4-ylmethylamino)methyl]oxan-4-ol is sourced from PubChem (CID 78928948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).