3-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]aniline

C15H25N3O — CID 61484816

IUPAC3-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]aniline
SMILESCC(C)OCCN1CCN(c2cccc(N)c2)CC1
InChIInChI=1S/C15H25N3O/c1-13(2)19-11-10-17-6-8-18(9-7-17)15-5-3-4-14(16)12-15/h3-5,12-13H,6-11,16H2,1-2H3
InChIKeyCYZVUPWGPBDHKI-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.82
Rot. Bonds5

About 3-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]aniline

3-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]aniline (PubChem CID 61484816) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]aniline.

Molecular Properties

Compound Name3-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]aniline
PubChem CID61484816
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]aniline
SMILESCC(C)OCCN1CCN(c2cccc(N)c2)CC1
InChIInChI=1S/C15H25N3O/c1-13(2)19-11-10-17-6-8-18(9-7-17)15-5-3-4-14(16)12-15/h3-5,12-13H,6-11,16H2,1-2H3
InChIKeyCYZVUPWGPBDHKI-UHFFFAOYSA-N
XLogP1.82
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]aniline
CID 115942867
3-[4-(2-fluoroethyl)piperazin-1-yl]aniline
CID 80694905
3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]aniline
CID 28800345
3-(4-propan-2-ylpiperidin-1-yl)aniline
CID 103505094
3-(4-ethyl-1,4-diazepan-1-yl)aniline
CID 22330011
2-propan-2-yl-5-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]pyrimidine
CID 168785842
3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]aniline
CID 60892068
3-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]aniline
CID 61493690
3-[4-(cyclopentylmethyl)piperazin-1-yl]aniline
CID 61344824
4-[4-[2-(2-methylpropoxy)ethyl]piperazin-1-yl]aniline
CID 106453577
2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethoxy]ethanamine
CID 79479255
3-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]aniline
CID 63262779

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]aniline?
The IUPAC name of 3-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]aniline (CID 61484816) is 3-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]aniline.
What is the SMILES notation for 3-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]aniline?
The canonical SMILES for 3-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]aniline is CC(C)OCCN1CCN(c2cccc(N)c2)CC1.
What is the InChIKey of 3-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]aniline?
The InChIKey is CYZVUPWGPBDHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-13(2)19-11-10-17-6-8-18(9-7-17)15-5-3-4-14(16)12-15/h3-5,12-13H,6-11,16H2,1-2H3.
What are the key properties of 3-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]aniline?
3-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]aniline has a molecular weight of 263.38 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]aniline is sourced from PubChem (CID 61484816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).