5-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)-2-propan-2-yloxyaniline

C20H33N3O — CID 135211742

IUPAC5-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)-2-propan-2-yloxyaniline
SMILESCc1cc(N)c(OC(C)C)cc1N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C20H33N3O/c1-15(2)24-20-14-19(16(3)13-18(20)21)23-11-7-17(8-12-23)22-9-5-4-6-10-22/h13-15,17H,4-12,21H2,1-3H3
InChIKeyOJKWHGYHGSPGGG-UHFFFAOYSA-N
MW331.50 g/mol
LogP3.82
Rot. Bonds4

About 5-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)-2-propan-2-yloxyaniline

5-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)-2-propan-2-yloxyaniline (PubChem CID 135211742) has the molecular formula C20H33N3O and a molecular weight of 331.50 g/mol. Its IUPAC name is 5-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)-2-propan-2-yloxyaniline.

Molecular Properties

Compound Name5-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)-2-propan-2-yloxyaniline
PubChem CID135211742
Molecular FormulaC20H33N3O
Molecular Weight331.50 g/mol
Exact Mass331.26
IUPAC Name5-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)-2-propan-2-yloxyaniline
SMILESCc1cc(N)c(OC(C)C)cc1N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C20H33N3O/c1-15(2)24-20-14-19(16(3)13-18(20)21)23-11-7-17(8-12-23)22-9-5-4-6-10-22/h13-15,17H,4-12,21H2,1-3H3
InChIKeyOJKWHGYHGSPGGG-UHFFFAOYSA-N
XLogP3.82
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)-2-propan-2-yloxyaniline?
The IUPAC name of 5-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)-2-propan-2-yloxyaniline (CID 135211742) is 5-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)-2-propan-2-yloxyaniline.
What is the SMILES notation for 5-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)-2-propan-2-yloxyaniline?
The canonical SMILES for 5-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)-2-propan-2-yloxyaniline is Cc1cc(N)c(OC(C)C)cc1N1CCC(N2CCCCC2)CC1.
What is the InChIKey of 5-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)-2-propan-2-yloxyaniline?
The InChIKey is OJKWHGYHGSPGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O/c1-15(2)24-20-14-19(16(3)13-18(20)21)23-11-7-17(8-12-23)22-9-5-4-6-10-22/h13-15,17H,4-12,21H2,1-3H3.
What are the key properties of 5-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)-2-propan-2-yloxyaniline?
5-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)-2-propan-2-yloxyaniline has a molecular weight of 331.50 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)-2-propan-2-yloxyaniline is sourced from PubChem (CID 135211742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).