3-[(3-amino-5-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-ol

C17H28N2O3 — CID 110536604

IUPAC3-[(3-amino-5-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-ol
SMILESCOc1cc(CC2CN(C)CCC2O)cc(N)c1OC(C)C
InChIInChI=1S/C17H28N2O3/c1-11(2)22-17-14(18)8-12(9-16(17)21-4)7-13-10-19(3)6-5-15(13)20/h8-9,11,13,15,20H,5-7,10,18H2,1-4H3
InChIKeyWVAGJROINTYSHL-UHFFFAOYSA-N
MW308.42 g/mol
LogP1.92
Rot. Bonds5

About 3-[(3-amino-5-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-ol

3-[(3-amino-5-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-ol (PubChem CID 110536604) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 3-[(3-amino-5-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name3-[(3-amino-5-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-ol
PubChem CID110536604
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name3-[(3-amino-5-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-ol
SMILESCOc1cc(CC2CN(C)CCC2O)cc(N)c1OC(C)C
InChIInChI=1S/C17H28N2O3/c1-11(2)22-17-14(18)8-12(9-16(17)21-4)7-13-10-19(3)6-5-15(13)20/h8-9,11,13,15,20H,5-7,10,18H2,1-4H3
InChIKeyWVAGJROINTYSHL-UHFFFAOYSA-N
XLogP1.92
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[(3-amino-5-methoxy-4-propan-2-yloxyphenyl)methyl]-1-ethylpiperidin-4-ol
CID 110535672
3-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110538251
3-[(3-amino-5-methoxy-4-propoxyphenyl)methyl]-1-ethylpiperidin-4-ol
CID 110535671
3-[(3-bromo-5-ethoxy-4-methoxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110535252
3-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110537925
3-[(3-amino-4-propoxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110538204
3-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-1-ethylpiperidin-4-ol
CID 110537452
3-[(3,5-dibromo-4-hydroxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110533825
3-[(2,4-dimethoxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110539908
3-[(3-bromo-4-propoxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110536370
2,3-dimethoxy-5-[3-(4-methylpiperidin-1-yl)propyl]aniline
CID 82070771
1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
CID 110539722

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-5-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-ol?
The IUPAC name of 3-[(3-amino-5-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-ol (CID 110536604) is 3-[(3-amino-5-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-ol.
What is the SMILES notation for 3-[(3-amino-5-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-ol?
The canonical SMILES for 3-[(3-amino-5-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-ol is COc1cc(CC2CN(C)CCC2O)cc(N)c1OC(C)C.
What is the InChIKey of 3-[(3-amino-5-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-ol?
The InChIKey is WVAGJROINTYSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-11(2)22-17-14(18)8-12(9-16(17)21-4)7-13-10-19(3)6-5-15(13)20/h8-9,11,13,15,20H,5-7,10,18H2,1-4H3.
What are the key properties of 3-[(3-amino-5-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-ol?
3-[(3-amino-5-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-ol has a molecular weight of 308.42 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-5-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-ol is sourced from PubChem (CID 110536604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).