ethyl 4-[(5-hydroxy-2-pyridinyl)methylamino]cyclohexane-1-carboxylate

C15H22N2O3 — CID 79781511

IUPACethyl 4-[(5-hydroxy-2-pyridinyl)methylamino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(NCc2ccc(O)cn2)CC1
InChIInChI=1S/C15H22N2O3/c1-2-20-15(19)11-3-5-12(6-4-11)16-9-13-7-8-14(18)10-17-13/h7-8,10-12,16,18H,2-6,9H2,1H3
InChIKeyHSGZBGGECUWVFR-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.00
Rot. Bonds5

About ethyl 4-[(5-hydroxy-2-pyridinyl)methylamino]cyclohexane-1-carboxylate

ethyl 4-[(5-hydroxy-2-pyridinyl)methylamino]cyclohexane-1-carboxylate (PubChem CID 79781511) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is ethyl 4-[(5-hydroxy-2-pyridinyl)methylamino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(5-hydroxy-2-pyridinyl)methylamino]cyclohexane-1-carboxylate
PubChem CID79781511
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nameethyl 4-[(5-hydroxy-2-pyridinyl)methylamino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(NCc2ccc(O)cn2)CC1
InChIInChI=1S/C15H22N2O3/c1-2-20-15(19)11-3-5-12(6-4-11)16-9-13-7-8-14(18)10-17-13/h7-8,10-12,16,18H,2-6,9H2,1H3
InChIKeyHSGZBGGECUWVFR-UHFFFAOYSA-N
XLogP2.00
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[(6-methoxy-3-pyridinyl)methylamino]cyclohexane-1-carboxylate
CID 115904668
ethyl 2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]propanoate
CID 79783450
ethyl 4-[(5-methyl-1H-imidazol-4-yl)methylamino]cyclohexane-1-carboxylate
CID 55114741
ethyl 2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]butanoate
CID 79781152
N-[(5-ethoxy-2-pyridinyl)methyl]cyclopropanamine
CID 79782890
ethyl 4-[(2,4-dimethylphenyl)methylamino]cyclohexane-1-carboxylate
CID 60934439
ethyl 4-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylate
CID 54867048
N-[(5-methyl-2-pyridinyl)methyl]cyclopropanamine
CID 80708604
6-[[(3,5-dimethylcyclohexyl)amino]methyl]pyridin-3-ol
CID 79794020
ethyl 4-[(1,3-dimethylpyrazol-4-yl)methylamino]cyclohexane-1-carboxylate
CID 83089059
2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]acetamide
CID 79784048
ethyl 4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]cyclohexane-1-carboxylate
CID 64829987

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(5-hydroxy-2-pyridinyl)methylamino]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-[(5-hydroxy-2-pyridinyl)methylamino]cyclohexane-1-carboxylate (CID 79781511) is ethyl 4-[(5-hydroxy-2-pyridinyl)methylamino]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-[(5-hydroxy-2-pyridinyl)methylamino]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-[(5-hydroxy-2-pyridinyl)methylamino]cyclohexane-1-carboxylate is CCOC(=O)C1CCC(NCc2ccc(O)cn2)CC1.
What is the InChIKey of ethyl 4-[(5-hydroxy-2-pyridinyl)methylamino]cyclohexane-1-carboxylate?
The InChIKey is HSGZBGGECUWVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-20-15(19)11-3-5-12(6-4-11)16-9-13-7-8-14(18)10-17-13/h7-8,10-12,16,18H,2-6,9H2,1H3.
What are the key properties of ethyl 4-[(5-hydroxy-2-pyridinyl)methylamino]cyclohexane-1-carboxylate?
ethyl 4-[(5-hydroxy-2-pyridinyl)methylamino]cyclohexane-1-carboxylate has a molecular weight of 278.35 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(5-hydroxy-2-pyridinyl)methylamino]cyclohexane-1-carboxylate is sourced from PubChem (CID 79781511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).