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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Related Compounds

Piperazine, 1-(1,4-benzodioxin-5-yl)-
CID 10398473
(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-[1-(3-methoxy-phenyl)-piperidin-4-ylmethyl]-amine
CID 10832838
1-(2,3-Dimethoxyphenyl)piperazine
CID 18669088
3,4-dimethoxy-N-methylaniline
CID 2786955
N-(3,4-dimethoxyphenyl)-N'-(1-propyl-4-piperidinyl)urea
CID 978126
N-(3,4-dimethoxyphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 2955868
N-(3,4-dimethoxyphenyl)-N'-(1-propyl-4-piperidinyl)thiourea
CID 971659
N-(3,4-dimethoxyphenyl)-1-phenethyl-piperidin-4-amine
CID 24101046
N-methyl-2,3-dihydro-1,4-benzodioxin-6-amine
CID 3146110
N-(3-methoxyphenyl)piperidin-4-amine
CID 7148673
5-((2-Hydroxyethyl)amino)-1,3-benzodioxol
CID 175593
N-Ethyl-3,4-dimethoxyaniline
CID 12686507

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).