4-hydroxy-4-[(pyridin-4-ylmethylamino)methyl]cyclohexane-1-carboxylic acid

C14H20N2O3 — CID 106499063

IUPAC4-hydroxy-4-[(pyridin-4-ylmethylamino)methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(O)(CNCc2ccncc2)CC1
InChIInChI=1S/C14H20N2O3/c17-13(18)12-1-5-14(19,6-2-12)10-16-9-11-3-7-15-8-4-11/h3-4,7-8,12,16,19H,1-2,5-6,9-10H2,(H,17,18)
InChIKeyDKOUKLKUAHMWKC-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.18
Rot. Bonds5

About 4-hydroxy-4-[(pyridin-4-ylmethylamino)methyl]cyclohexane-1-carboxylic acid

4-hydroxy-4-[(pyridin-4-ylmethylamino)methyl]cyclohexane-1-carboxylic acid (PubChem CID 106499063) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-hydroxy-4-[(pyridin-4-ylmethylamino)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-4-[(pyridin-4-ylmethylamino)methyl]cyclohexane-1-carboxylic acid
PubChem CID106499063
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-hydroxy-4-[(pyridin-4-ylmethylamino)methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(O)(CNCc2ccncc2)CC1
InChIInChI=1S/C14H20N2O3/c17-13(18)12-1-5-14(19,6-2-12)10-16-9-11-3-7-15-8-4-11/h3-4,7-8,12,16,19H,1-2,5-6,9-10H2,(H,17,18)
InChIKeyDKOUKLKUAHMWKC-UHFFFAOYSA-N
XLogP1.18
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-4-[[(4-pyridin-4-ylphenyl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 167784149
4-[[(3-chlorophenyl)methylamino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106499358
4-hydroxy-4-[[(3-methylphenyl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 106499162
4-[(pyridin-4-ylmethylamino)methyl]oxan-4-ol
CID 78928948
4-hydroxy-4-[(1,2-oxazol-3-ylmethylamino)methyl]cyclohexane-1-carboxylic acid
CID 106499638
4-hydroxy-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 106499175
4-methyl-1-[(2-pyridin-4-ylethylamino)methyl]cyclohexan-1-ol
CID 65116152
4-hydroxy-4-[[(4-methylthiophen-3-yl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 106499611
methyl 4-hydroxy-4-[[(2-pyridin-4-ylacetyl)amino]methyl]cyclohexane-1-carboxylate
CID 112535118
4-hydroxy-4-(propylaminomethyl)cyclohexane-1-carboxylic acid
CID 105468801
1-[(benzylamino)methyl]-4-ethylcyclohexan-1-ol
CID 62772640
4-hydroxy-4-[(3-pyrazol-1-ylpropylamino)methyl]cyclohexane-1-carboxylic acid
CID 106499734

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-[(pyridin-4-ylmethylamino)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-hydroxy-4-[(pyridin-4-ylmethylamino)methyl]cyclohexane-1-carboxylic acid (CID 106499063) is 4-hydroxy-4-[(pyridin-4-ylmethylamino)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-hydroxy-4-[(pyridin-4-ylmethylamino)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-hydroxy-4-[(pyridin-4-ylmethylamino)methyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(O)(CNCc2ccncc2)CC1.
What is the InChIKey of 4-hydroxy-4-[(pyridin-4-ylmethylamino)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is DKOUKLKUAHMWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c17-13(18)12-1-5-14(19,6-2-12)10-16-9-11-3-7-15-8-4-11/h3-4,7-8,12,16,19H,1-2,5-6,9-10H2,(H,17,18).
What are the key properties of 4-hydroxy-4-[(pyridin-4-ylmethylamino)methyl]cyclohexane-1-carboxylic acid?
4-hydroxy-4-[(pyridin-4-ylmethylamino)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-[(pyridin-4-ylmethylamino)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 106499063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).