6-[[(3-hydroxycyclohexyl)methylamino]methyl]pyridin-3-ol

C13H20N2O2 — CID 113373381

IUPAC6-[[(3-hydroxycyclohexyl)methylamino]methyl]pyridin-3-ol
SMILESOc1ccc(CNCC2CCCC(O)C2)nc1
InChIInChI=1S/C13H20N2O2/c16-12-3-1-2-10(6-12)7-14-8-11-4-5-13(17)9-15-11/h4-5,9-10,12,14,16-17H,1-3,6-8H2
InChIKeyDTZVNVQEGCFWTE-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.43
Rot. Bonds4

About 6-[[(3-hydroxycyclohexyl)methylamino]methyl]pyridin-3-ol

6-[[(3-hydroxycyclohexyl)methylamino]methyl]pyridin-3-ol (PubChem CID 113373381) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 6-[[(3-hydroxycyclohexyl)methylamino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-[[(3-hydroxycyclohexyl)methylamino]methyl]pyridin-3-ol
PubChem CID113373381
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name6-[[(3-hydroxycyclohexyl)methylamino]methyl]pyridin-3-ol
SMILESOc1ccc(CNCC2CCCC(O)C2)nc1
InChIInChI=1S/C13H20N2O2/c16-12-3-1-2-10(6-12)7-14-8-11-4-5-13(17)9-15-11/h4-5,9-10,12,14,16-17H,1-3,6-8H2
InChIKeyDTZVNVQEGCFWTE-UHFFFAOYSA-N
XLogP1.43
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(cyclopentylmethylamino)methyl]pyridin-3-ol
CID 79776493
methyl 6-[[(3-hydroxycyclohexyl)methylamino]methyl]pyridine-3-carboxylate
CID 106132514
6-[(oxolan-3-ylmethylamino)methyl]pyridin-3-ol
CID 79781899
6-[(2-cyclopropylethylamino)methyl]pyridin-3-ol
CID 79794912
6-[[(1-ethylpiperidin-4-yl)methylamino]methyl]pyridin-3-ol
CID 79783467
3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 115654558
3-[[(4-iodophenyl)methylamino]methyl]cyclohexan-1-ol
CID 106132031
3-[[(4-chlorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699808
3-[[[4-(methoxymethyl)phenyl]methylamino]methyl]cyclohexan-1-ol
CID 103699801
3-[(1,3-oxazol-5-ylmethylamino)methyl]cyclohexan-1-ol
CID 106124531
6-[[(3-methylcyclohexyl)amino]methyl]pyridin-3-ol
CID 79776311
6-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]pyridin-3-ol
CID 79776024

Frequently Asked Questions

What is the IUPAC name of 6-[[(3-hydroxycyclohexyl)methylamino]methyl]pyridin-3-ol?
The IUPAC name of 6-[[(3-hydroxycyclohexyl)methylamino]methyl]pyridin-3-ol (CID 113373381) is 6-[[(3-hydroxycyclohexyl)methylamino]methyl]pyridin-3-ol.
What is the SMILES notation for 6-[[(3-hydroxycyclohexyl)methylamino]methyl]pyridin-3-ol?
The canonical SMILES for 6-[[(3-hydroxycyclohexyl)methylamino]methyl]pyridin-3-ol is Oc1ccc(CNCC2CCCC(O)C2)nc1.
What is the InChIKey of 6-[[(3-hydroxycyclohexyl)methylamino]methyl]pyridin-3-ol?
The InChIKey is DTZVNVQEGCFWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c16-12-3-1-2-10(6-12)7-14-8-11-4-5-13(17)9-15-11/h4-5,9-10,12,14,16-17H,1-3,6-8H2.
What are the key properties of 6-[[(3-hydroxycyclohexyl)methylamino]methyl]pyridin-3-ol?
6-[[(3-hydroxycyclohexyl)methylamino]methyl]pyridin-3-ol has a molecular weight of 236.31 g/mol, XLogP of 1.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3-hydroxycyclohexyl)methylamino]methyl]pyridin-3-ol is sourced from PubChem (CID 113373381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).