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

C16H26N2O2 — CID 18002840

IUPAC4-[(N-methyl-4-propan-2-yloxyanilino)methyl]piperidin-4-ol
SMILESCC(C)Oc1ccc(N(C)CC2(O)CCNCC2)cc1
InChIInChI=1S/C16H26N2O2/c1-13(2)20-15-6-4-14(5-7-15)18(3)12-16(19)8-10-17-11-9-16/h4-7,13,17,19H,8-12H2,1-3H3
InChIKeyWMLKPODFACBUKI-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.02
Rot. Bonds5

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

4-[(N-methyl-4-propan-2-yloxyanilino)methyl]piperidin-4-ol (PubChem CID 18002840) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-[(N-methyl-4-propan-2-yloxyanilino)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[(N-methyl-4-propan-2-yloxyanilino)methyl]piperidin-4-ol
PubChem CID18002840
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name4-[(N-methyl-4-propan-2-yloxyanilino)methyl]piperidin-4-ol
SMILESCC(C)Oc1ccc(N(C)CC2(O)CCNCC2)cc1
InChIInChI=1S/C16H26N2O2/c1-13(2)20-15-6-4-14(5-7-15)18(3)12-16(19)8-10-17-11-9-16/h4-7,13,17,19H,8-12H2,1-3H3
InChIKeyWMLKPODFACBUKI-UHFFFAOYSA-N
XLogP2.02
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[1-hydroxy-2-(N-methyl-4-propan-2-yloxyanilino)ethyl]piperidin-4-ol
CID 18002858
N-[2-(4-methoxypiperidin-4-yl)ethyl]-N-methyl-4-propan-2-yloxyaniline
CID 18002902
4-[(4-propan-2-yloxyanilino)methyl]piperidin-4-ol
CID 95470994
4-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]piperidin-4-ol
CID 79476515
tert-butyl 4-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]benzoate
CID 67372026
N-methyl-4-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)aniline
CID 115208162
1-[2-(4-fluorophenyl)ethyl]-4-[2-(N-methyl-4-propan-2-yloxyanilino)ethyl]piperidin-4-ol
CID 15550327
4-[[4-[(1S)-1-hydroxyethyl]-N-methylanilino]methyl]oxan-4-ol
CID 104985502
1-[2-(4-fluorophenoxy)ethyl]-4-[2-(N-methyl-4-propan-2-yloxyanilino)ethyl]piperidin-4-ol;dihydrochloride
CID 21300652
4-[[4-hydroxy-4-[2-(N-methyl-4-propan-2-yloxyanilino)ethyl]piperidin-1-yl]methyl]benzonitrile
CID 21300628
4-[2-(4-butoxy-N-methylanilino)-1-methoxyethyl]piperidin-4-ol
CID 21300791
4-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]piperidin-4-ol
CID 62978113

Frequently Asked Questions

What is the IUPAC name of 4-[(N-methyl-4-propan-2-yloxyanilino)methyl]piperidin-4-ol?
The IUPAC name of 4-[(N-methyl-4-propan-2-yloxyanilino)methyl]piperidin-4-ol (CID 18002840) is 4-[(N-methyl-4-propan-2-yloxyanilino)methyl]piperidin-4-ol.
What is the SMILES notation for 4-[(N-methyl-4-propan-2-yloxyanilino)methyl]piperidin-4-ol?
The canonical SMILES for 4-[(N-methyl-4-propan-2-yloxyanilino)methyl]piperidin-4-ol is CC(C)Oc1ccc(N(C)CC2(O)CCNCC2)cc1.
What is the InChIKey of 4-[(N-methyl-4-propan-2-yloxyanilino)methyl]piperidin-4-ol?
The InChIKey is WMLKPODFACBUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-13(2)20-15-6-4-14(5-7-15)18(3)12-16(19)8-10-17-11-9-16/h4-7,13,17,19H,8-12H2,1-3H3.
What are the key properties of 4-[(N-methyl-4-propan-2-yloxyanilino)methyl]piperidin-4-ol?
4-[(N-methyl-4-propan-2-yloxyanilino)methyl]piperidin-4-ol has a molecular weight of 278.40 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(N-methyl-4-propan-2-yloxyanilino)methyl]piperidin-4-ol is sourced from PubChem (CID 18002840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).