1-[4-(4-tert-butylpiperazin-1-yl)phenyl]ethanamine

C16H27N3 — CID 61432785

IUPAC1-[4-(4-tert-butylpiperazin-1-yl)phenyl]ethanamine
SMILESCC(N)c1ccc(N2CCN(C(C)(C)C)CC2)cc1
InChIInChI=1S/C16H27N3/c1-13(17)14-5-7-15(8-6-14)18-9-11-19(12-10-18)16(2,3)4/h5-8,13H,9-12,17H2,1-4H3
InChIKeyPJQDDDUSWOGJDS-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.63
Rot. Bonds2

About 1-[4-(4-tert-butylpiperazin-1-yl)phenyl]ethanamine

1-[4-(4-tert-butylpiperazin-1-yl)phenyl]ethanamine (PubChem CID 61432785) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[4-(4-tert-butylpiperazin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(4-tert-butylpiperazin-1-yl)phenyl]ethanamine
PubChem CID61432785
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-[4-(4-tert-butylpiperazin-1-yl)phenyl]ethanamine
SMILESCC(N)c1ccc(N2CCN(C(C)(C)C)CC2)cc1
InChIInChI=1S/C16H27N3/c1-13(17)14-5-7-15(8-6-14)18-9-11-19(12-10-18)16(2,3)4/h5-8,13H,9-12,17H2,1-4H3
InChIKeyPJQDDDUSWOGJDS-UHFFFAOYSA-N
XLogP2.63
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 1-[4-(4-tert-butylpiperazin-1-yl)phenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(4-tert-butylpiperazin-1-yl)phenyl]methanediol
CID 135299363
1-[4-(4-phenylpiperazin-1-yl)phenyl]ethanamine
CID 43188772
1-[4-(azepan-1-yl)phenyl]ethanamine
CID 43188750
(1S)-1-[4-(4-methylpiperazin-1-yl)phenyl]ethanamine;dihydrochloride
CID 67403541
(1S)-1-[4-(4-tert-butylpiperidin-1-yl)phenyl]ethanamine
CID 63368975
1-tert-butyl-4-(4-tert-butylphenyl)piperazine
CID 59476465
1-tert-butyl-4-(4-iodophenyl)piperazine
CID 154329607
1-[4-[(1S)-1-aminoethyl]phenyl]-N,N-dimethylpiperidin-4-amine
CID 55189063
4-[4-(1-aminoethyl)phenyl]-1-methylpiperazin-2-one
CID 64693857
4-[4-[(1S)-1-aminoethyl]phenyl]-1-methylpiperazin-2-one
CID 78997047
4-(4-tert-butylpiperazin-1-yl)-2-propan-2-yloxyaniline
CID 83004687
1-[4-[(1S)-1-aminoethyl]phenyl]-1,4-diazepan-5-one
CID 63369103

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-tert-butylpiperazin-1-yl)phenyl]ethanamine?
The IUPAC name of 1-[4-(4-tert-butylpiperazin-1-yl)phenyl]ethanamine (CID 61432785) is 1-[4-(4-tert-butylpiperazin-1-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[4-(4-tert-butylpiperazin-1-yl)phenyl]ethanamine?
The canonical SMILES for 1-[4-(4-tert-butylpiperazin-1-yl)phenyl]ethanamine is CC(N)c1ccc(N2CCN(C(C)(C)C)CC2)cc1.
What is the InChIKey of 1-[4-(4-tert-butylpiperazin-1-yl)phenyl]ethanamine?
The InChIKey is PJQDDDUSWOGJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-13(17)14-5-7-15(8-6-14)18-9-11-19(12-10-18)16(2,3)4/h5-8,13H,9-12,17H2,1-4H3.
What are the key properties of 1-[4-(4-tert-butylpiperazin-1-yl)phenyl]ethanamine?
1-[4-(4-tert-butylpiperazin-1-yl)phenyl]ethanamine has a molecular weight of 261.41 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-tert-butylpiperazin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 61432785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).