4-[4-(2-methylpropyl)piperazin-1-yl]-2-propan-2-yloxyaniline

C17H29N3O — CID 83005099

IUPAC4-[4-(2-methylpropyl)piperazin-1-yl]-2-propan-2-yloxyaniline
SMILESCC(C)CN1CCN(c2ccc(N)c(OC(C)C)c2)CC1
InChIInChI=1S/C17H29N3O/c1-13(2)12-19-7-9-20(10-8-19)15-5-6-16(18)17(11-15)21-14(3)4/h5-6,11,13-14H,7-10,12,18H2,1-4H3
InChIKeyWWCOYJJZHHDUPA-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.83
Rot. Bonds5

About 4-[4-(2-methylpropyl)piperazin-1-yl]-2-propan-2-yloxyaniline

4-[4-(2-methylpropyl)piperazin-1-yl]-2-propan-2-yloxyaniline (PubChem CID 83005099) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-[4-(2-methylpropyl)piperazin-1-yl]-2-propan-2-yloxyaniline.

Molecular Properties

Compound Name4-[4-(2-methylpropyl)piperazin-1-yl]-2-propan-2-yloxyaniline
PubChem CID83005099
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name4-[4-(2-methylpropyl)piperazin-1-yl]-2-propan-2-yloxyaniline
SMILESCC(C)CN1CCN(c2ccc(N)c(OC(C)C)c2)CC1
InChIInChI=1S/C17H29N3O/c1-13(2)12-19-7-9-20(10-8-19)15-5-6-16(18)17(11-15)21-14(3)4/h5-6,11,13-14H,7-10,12,18H2,1-4H3
InChIKeyWWCOYJJZHHDUPA-UHFFFAOYSA-N
XLogP2.83
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.83
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 4-[4-(2-methylpropyl)piperazin-1-yl]-2-propan-2-yloxyaniline?
The IUPAC name of 4-[4-(2-methylpropyl)piperazin-1-yl]-2-propan-2-yloxyaniline (CID 83005099) is 4-[4-(2-methylpropyl)piperazin-1-yl]-2-propan-2-yloxyaniline.
What is the SMILES notation for 4-[4-(2-methylpropyl)piperazin-1-yl]-2-propan-2-yloxyaniline?
The canonical SMILES for 4-[4-(2-methylpropyl)piperazin-1-yl]-2-propan-2-yloxyaniline is CC(C)CN1CCN(c2ccc(N)c(OC(C)C)c2)CC1.
What is the InChIKey of 4-[4-(2-methylpropyl)piperazin-1-yl]-2-propan-2-yloxyaniline?
The InChIKey is WWCOYJJZHHDUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-13(2)12-19-7-9-20(10-8-19)15-5-6-16(18)17(11-15)21-14(3)4/h5-6,11,13-14H,7-10,12,18H2,1-4H3.
What are the key properties of 4-[4-(2-methylpropyl)piperazin-1-yl]-2-propan-2-yloxyaniline?
4-[4-(2-methylpropyl)piperazin-1-yl]-2-propan-2-yloxyaniline has a molecular weight of 291.44 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylpropyl)piperazin-1-yl]-2-propan-2-yloxyaniline is sourced from PubChem (CID 83005099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).