1-(4-amino-3-ethoxyphenyl)-4-methylpiperidin-4-ol

C14H22N2O2 — CID 81097075

IUPAC1-(4-amino-3-ethoxyphenyl)-4-methylpiperidin-4-ol
SMILESCCOc1cc(N2CCC(C)(O)CC2)ccc1N
InChIInChI=1S/C14H22N2O2/c1-3-18-13-10-11(4-5-12(13)15)16-8-6-14(2,17)7-9-16/h4-5,10,17H,3,6-9,15H2,1-2H3
InChIKeyVCTFTRWEASMVKW-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.02
Rot. Bonds3

About 1-(4-amino-3-ethoxyphenyl)-4-methylpiperidin-4-ol

1-(4-amino-3-ethoxyphenyl)-4-methylpiperidin-4-ol (PubChem CID 81097075) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(4-amino-3-ethoxyphenyl)-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(4-amino-3-ethoxyphenyl)-4-methylpiperidin-4-ol
PubChem CID81097075
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(4-amino-3-ethoxyphenyl)-4-methylpiperidin-4-ol
SMILESCCOc1cc(N2CCC(C)(O)CC2)ccc1N
InChIInChI=1S/C14H22N2O2/c1-3-18-13-10-11(4-5-12(13)15)16-8-6-14(2,17)7-9-16/h4-5,10,17H,3,6-9,15H2,1-2H3
InChIKeyVCTFTRWEASMVKW-UHFFFAOYSA-N
XLogP2.02
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-4-(3,3,4-trimethylpiperazin-1-yl)aniline
CID 55232962
2-ethoxy-4-(4-methylsulfanylpiperidin-1-yl)aniline
CID 114236646
methyl 1-(4-amino-3-ethoxyphenyl)piperidine-4-carboxylate
CID 169094237
4-(1,3-dihydroisoindol-2-yl)-2-ethoxyaniline
CID 63676090
1-(2-amino-3-ethoxyphenyl)-4-methylpiperidin-4-ol
CID 113392760
2-ethoxy-4-[4-(2-methylsulfonylethyl)piperazin-1-yl]aniline
CID 66649743
4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-ethoxyaniline
CID 124709079
1-(4-amino-3-propoxyphenyl)piperidin-4-ol
CID 63672435
1-(5-amino-6-ethoxy-2-pyridinyl)-4-methylpiperidin-4-ol
CID 81097388
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-ethoxyaniline
CID 79932420
4-(4-amino-3-ethoxyphenyl)-1-methyl-1,4-diazepan-2-one
CID 102888311
4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-propoxyaniline
CID 63670322

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-ethoxyphenyl)-4-methylpiperidin-4-ol?
The IUPAC name of 1-(4-amino-3-ethoxyphenyl)-4-methylpiperidin-4-ol (CID 81097075) is 1-(4-amino-3-ethoxyphenyl)-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-(4-amino-3-ethoxyphenyl)-4-methylpiperidin-4-ol?
The canonical SMILES for 1-(4-amino-3-ethoxyphenyl)-4-methylpiperidin-4-ol is CCOc1cc(N2CCC(C)(O)CC2)ccc1N.
What is the InChIKey of 1-(4-amino-3-ethoxyphenyl)-4-methylpiperidin-4-ol?
The InChIKey is VCTFTRWEASMVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-18-13-10-11(4-5-12(13)15)16-8-6-14(2,17)7-9-16/h4-5,10,17H,3,6-9,15H2,1-2H3.
What are the key properties of 1-(4-amino-3-ethoxyphenyl)-4-methylpiperidin-4-ol?
1-(4-amino-3-ethoxyphenyl)-4-methylpiperidin-4-ol has a molecular weight of 250.34 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-ethoxyphenyl)-4-methylpiperidin-4-ol is sourced from PubChem (CID 81097075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).