(4-tert-butylphenyl)-piperazin-1-ylmethanamine

C15H25N3 — CID 116939723

IUPAC(4-tert-butylphenyl)-piperazin-1-ylmethanamine
SMILESCC(C)(C)c1ccc(C(N)N2CCNCC2)cc1
InChIInChI=1S/C15H25N3/c1-15(2,3)13-6-4-12(5-7-13)14(16)18-10-8-17-9-11-18/h4-7,14,17H,8-11,16H2,1-3H3
InChIKeyUMCDYOKANZRCMJ-UHFFFAOYSA-N
MW247.39 g/mol
LogP1.85
Rot. Bonds2

About (4-tert-butylphenyl)-piperazin-1-ylmethanamine

(4-tert-butylphenyl)-piperazin-1-ylmethanamine (PubChem CID 116939723) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is (4-tert-butylphenyl)-piperazin-1-ylmethanamine.

Molecular Properties

Compound Name(4-tert-butylphenyl)-piperazin-1-ylmethanamine
PubChem CID116939723
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name(4-tert-butylphenyl)-piperazin-1-ylmethanamine
SMILESCC(C)(C)c1ccc(C(N)N2CCNCC2)cc1
InChIInChI=1S/C15H25N3/c1-15(2,3)13-6-4-12(5-7-13)14(16)18-10-8-17-9-11-18/h4-7,14,17H,8-11,16H2,1-3H3
InChIKeyUMCDYOKANZRCMJ-UHFFFAOYSA-N
XLogP1.85
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluorophenyl)-piperazin-1-ylmethanamine
CID 116939727
(4-methoxyphenyl)-piperazin-1-ylmethanamine
CID 116939730
piperazin-1-yl-(4-propan-2-ylsulfanylphenyl)methanamine
CID 116939801
piperazin-1-yl-(4-propylphenyl)methanamine
CID 116939744
1-[(1R)-1-(4-tert-butylphenyl)-2-fluoroethyl]piperazine;hydrochloride
CID 171182372
(2R)-2-(4-tert-butylphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183399
1-[(S)-(4-tert-butylphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171287926
1-[(S)-(4-tert-butylphenyl)-cyclobutylmethyl]piperazine
CID 95488327
1-[(1R)-1-(4-tert-butylphenyl)-3,3,3-trifluoropropyl]piperazine
CID 171169001
1-[(1S)-1-(4-tert-butylphenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171275303
1-[(R)-(4-tert-butylphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171275299
1-[(1S)-1-(4-tert-butylphenyl)-2-cyclopropylethyl]piperazine
CID 171275301

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-piperazin-1-ylmethanamine?
The IUPAC name of (4-tert-butylphenyl)-piperazin-1-ylmethanamine (CID 116939723) is (4-tert-butylphenyl)-piperazin-1-ylmethanamine.
What is the SMILES notation for (4-tert-butylphenyl)-piperazin-1-ylmethanamine?
The canonical SMILES for (4-tert-butylphenyl)-piperazin-1-ylmethanamine is CC(C)(C)c1ccc(C(N)N2CCNCC2)cc1.
What is the InChIKey of (4-tert-butylphenyl)-piperazin-1-ylmethanamine?
The InChIKey is UMCDYOKANZRCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-15(2,3)13-6-4-12(5-7-13)14(16)18-10-8-17-9-11-18/h4-7,14,17H,8-11,16H2,1-3H3.
What are the key properties of (4-tert-butylphenyl)-piperazin-1-ylmethanamine?
(4-tert-butylphenyl)-piperazin-1-ylmethanamine has a molecular weight of 247.39 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-piperazin-1-ylmethanamine is sourced from PubChem (CID 116939723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).