4-[(3,4-dimethoxyanilino)methyl]piperidin-4-ol

C14H22N2O3 — CID 66545199

IUPAC4-[(3,4-dimethoxyanilino)methyl]piperidin-4-ol
SMILESCOc1ccc(NCC2(O)CCNCC2)cc1OC
InChIInChI=1S/C14H22N2O3/c1-18-12-4-3-11(9-13(12)19-2)16-10-14(17)5-7-15-8-6-14/h3-4,9,15-17H,5-8,10H2,1-2H3
InChIKeyWBLBTNJLRSTNFA-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.23
Rot. Bonds5

About 4-[(3,4-dimethoxyanilino)methyl]piperidin-4-ol

4-[(3,4-dimethoxyanilino)methyl]piperidin-4-ol (PubChem CID 66545199) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-[(3,4-dimethoxyanilino)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[(3,4-dimethoxyanilino)methyl]piperidin-4-ol
PubChem CID66545199
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name4-[(3,4-dimethoxyanilino)methyl]piperidin-4-ol
SMILESCOc1ccc(NCC2(O)CCNCC2)cc1OC
InChIInChI=1S/C14H22N2O3/c1-18-12-4-3-11(9-13(12)19-2)16-10-14(17)5-7-15-8-6-14/h3-4,9,15-17H,5-8,10H2,1-2H3
InChIKeyWBLBTNJLRSTNFA-UHFFFAOYSA-N
XLogP1.23
TPSA62.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethoxyanilino)methyl]piperidin-4-ol?
The IUPAC name of 4-[(3,4-dimethoxyanilino)methyl]piperidin-4-ol (CID 66545199) is 4-[(3,4-dimethoxyanilino)methyl]piperidin-4-ol.
What is the SMILES notation for 4-[(3,4-dimethoxyanilino)methyl]piperidin-4-ol?
The canonical SMILES for 4-[(3,4-dimethoxyanilino)methyl]piperidin-4-ol is COc1ccc(NCC2(O)CCNCC2)cc1OC.
What is the InChIKey of 4-[(3,4-dimethoxyanilino)methyl]piperidin-4-ol?
The InChIKey is WBLBTNJLRSTNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-18-12-4-3-11(9-13(12)19-2)16-10-14(17)5-7-15-8-6-14/h3-4,9,15-17H,5-8,10H2,1-2H3.
What are the key properties of 4-[(3,4-dimethoxyanilino)methyl]piperidin-4-ol?
4-[(3,4-dimethoxyanilino)methyl]piperidin-4-ol has a molecular weight of 266.34 g/mol, XLogP of 1.23, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethoxyanilino)methyl]piperidin-4-ol is sourced from PubChem (CID 66545199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).