1-[(2-methoxyphenyl)methyl]-4-[2-(N-methyl-4-propan-2-yloxyanilino)ethyl]piperidin-4-ol

C25H36N2O3 — CID 21300668

IUPAC1-[(2-methoxyphenyl)methyl]-4-[2-(N-methyl-4-propan-2-yloxyanilino)ethyl]piperidin-4-ol
SMILESCOc1ccccc1CN1CCC(O)(CCN(C)c2ccc(OC(C)C)cc2)CC1
InChIInChI=1S/C25H36N2O3/c1-20(2)30-23-11-9-22(10-12-23)26(3)16-13-25(28)14-17-27(18-15-25)19-21-7-5-6-8-24(21)29-4/h5-12,20,28H,13-19H2,1-4H3
InChIKeySAOPWZGMDXZBJV-UHFFFAOYSA-N
MW412.57 g/mol
LogP4.34
Rot. Bonds9

About 1-[(2-methoxyphenyl)methyl]-4-[2-(N-methyl-4-propan-2-yloxyanilino)ethyl]piperidin-4-ol

1-[(2-methoxyphenyl)methyl]-4-[2-(N-methyl-4-propan-2-yloxyanilino)ethyl]piperidin-4-ol (PubChem CID 21300668) has the molecular formula C25H36N2O3 and a molecular weight of 412.57 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-4-[2-(N-methyl-4-propan-2-yloxyanilino)ethyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-4-[2-(N-methyl-4-propan-2-yloxyanilino)ethyl]piperidin-4-ol
PubChem CID21300668
Molecular FormulaC25H36N2O3
Molecular Weight412.57 g/mol
Exact Mass412.27
IUPAC Name1-[(2-methoxyphenyl)methyl]-4-[2-(N-methyl-4-propan-2-yloxyanilino)ethyl]piperidin-4-ol
SMILESCOc1ccccc1CN1CCC(O)(CCN(C)c2ccc(OC(C)C)cc2)CC1
InChIInChI=1S/C25H36N2O3/c1-20(2)30-23-11-9-22(10-12-23)26(3)16-13-25(28)14-17-27(18-15-25)19-21-7-5-6-8-24(21)29-4/h5-12,20,28H,13-19H2,1-4H3
InChIKeySAOPWZGMDXZBJV-UHFFFAOYSA-N
XLogP4.34
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.57
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-[2-(N-methyl-4-propan-2-yloxyanilino)ethyl]-1-[(2-nitrophenyl)methyl]piperidin-4-ol;dihydrochloride
CID 21300857
1-[2-(2-bromophenyl)ethyl]-4-[2-(N-methyl-4-propan-2-yloxyanilino)ethyl]piperidin-4-ol;dihydrochloride
CID 18002900
4-[2-(N-methyl-4-propan-2-yloxyanilino)ethyl]-1-(2-phenoxyethyl)piperidin-4-ol;dihydrochloride
CID 21300860
1-[(3-chlorophenyl)methyl]-4-[2-(N-methyl-4-propan-2-yloxyanilino)ethyl]piperidin-4-ol;dihydrochloride
CID 21300675
4-[[4-hydroxy-4-[2-(N-methyl-4-propan-2-yloxyanilino)ethyl]piperidin-1-yl]methyl]benzonitrile
CID 21300628
1-[2-(4-fluorophenyl)ethyl]-4-[2-(N-methyl-4-propan-2-yloxyanilino)ethyl]piperidin-4-ol
CID 15550327
1-[2-(4-bromophenyl)ethyl]-4-[2-(N-methyl-4-propan-2-yloxyanilino)ethyl]piperidin-4-ol
CID 18002847
1-[2-(3-methylphenyl)ethyl]-4-[2-(N-methyl-4-propan-2-yloxyanilino)ethyl]piperidin-4-ol
CID 18002884
methyl 4-[2-[4-hydroxy-4-[2-(N-methyl-4-propan-2-yloxyanilino)ethyl]piperidin-1-yl]ethyl]benzoate;dihydrochloride
CID 18002836
4-[2-(N-methyl-4-propan-2-yloxyanilino)ethyl]-1-[2-(4-nitrophenyl)ethyl]piperidin-4-ol
CID 12988837
methyl 4-[[4-hydroxy-4-[2-(N-methyl-2-propan-2-yloxyanilino)ethyl]piperidin-1-yl]methyl]benzoate;dihydrochloride
CID 21300703
N-[2-[4-methoxy-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethyl]-N-methyl-4-propan-2-yloxyaniline;dihydrochloride
CID 21300896

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]-4-[2-(N-methyl-4-propan-2-yloxyanilino)ethyl]piperidin-4-ol?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-4-[2-(N-methyl-4-propan-2-yloxyanilino)ethyl]piperidin-4-ol (CID 21300668) is 1-[(2-methoxyphenyl)methyl]-4-[2-(N-methyl-4-propan-2-yloxyanilino)ethyl]piperidin-4-ol.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-4-[2-(N-methyl-4-propan-2-yloxyanilino)ethyl]piperidin-4-ol?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-4-[2-(N-methyl-4-propan-2-yloxyanilino)ethyl]piperidin-4-ol is COc1ccccc1CN1CCC(O)(CCN(C)c2ccc(OC(C)C)cc2)CC1.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-4-[2-(N-methyl-4-propan-2-yloxyanilino)ethyl]piperidin-4-ol?
The InChIKey is SAOPWZGMDXZBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O3/c1-20(2)30-23-11-9-22(10-12-23)26(3)16-13-25(28)14-17-27(18-15-25)19-21-7-5-6-8-24(21)29-4/h5-12,20,28H,13-19H2,1-4H3.
What are the key properties of 1-[(2-methoxyphenyl)methyl]-4-[2-(N-methyl-4-propan-2-yloxyanilino)ethyl]piperidin-4-ol?
1-[(2-methoxyphenyl)methyl]-4-[2-(N-methyl-4-propan-2-yloxyanilino)ethyl]piperidin-4-ol has a molecular weight of 412.57 g/mol, XLogP of 4.34, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-4-[2-(N-methyl-4-propan-2-yloxyanilino)ethyl]piperidin-4-ol is sourced from PubChem (CID 21300668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).