3-(3-amino-2-methyl-2-piperazin-1-ylpropyl)phenol

C14H23N3O — CID 84752324

IUPAC3-(3-amino-2-methyl-2-piperazin-1-ylpropyl)phenol
SMILESCC(CN)(Cc1cccc(O)c1)N1CCNCC1
InChIInChI=1S/C14H23N3O/c1-14(11-15,17-7-5-16-6-8-17)10-12-3-2-4-13(18)9-12/h2-4,9,16,18H,5-8,10-11,15H2,1H3
InChIKeyCZAOLZBOXHPSKK-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.56
Rot. Bonds4

About 3-(3-amino-2-methyl-2-piperazin-1-ylpropyl)phenol

3-(3-amino-2-methyl-2-piperazin-1-ylpropyl)phenol (PubChem CID 84752324) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-(3-amino-2-methyl-2-piperazin-1-ylpropyl)phenol.

Molecular Properties

Compound Name3-(3-amino-2-methyl-2-piperazin-1-ylpropyl)phenol
PubChem CID84752324
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-(3-amino-2-methyl-2-piperazin-1-ylpropyl)phenol
SMILESCC(CN)(Cc1cccc(O)c1)N1CCNCC1
InChIInChI=1S/C14H23N3O/c1-14(11-15,17-7-5-16-6-8-17)10-12-3-2-4-13(18)9-12/h2-4,9,16,18H,5-8,10-11,15H2,1H3
InChIKeyCZAOLZBOXHPSKK-UHFFFAOYSA-N
XLogP0.56
TPSA61.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-amino-2-piperazin-1-ylpropyl)phenol
CID 84748340
3-(2-amino-2-pyrrolidin-1-ylpropyl)phenol;hydrochloride
CID 67598749
4-[(3-hydroxyphenyl)methyl]-1,4-diazepan-5-one
CID 115100485
3-[2-(aminomethyl)-3,3-difluoro-2-methylpropyl]phenol
CID 84723725
3-(3-ethoxyphenyl)-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine
CID 84752180
2-(4,4-dimethylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-amine
CID 55150857
2-(azepan-1-yl)-3-(3-hydroxyphenyl)-2-methylpropanenitrile
CID 84751674
1-(3-chlorophenyl)-3-methyl-3-piperazin-1-ylbutan-2-one
CID 116599192
2-(3,3-dimethylpiperidin-1-yl)-3-(3-fluorophenyl)-2-methylpropan-1-amine
CID 114831451
3-(3-amino-3-methylbutyl)phenol
CID 19863682
N-(1-amino-2-methylbutan-2-yl)-2-(3-hydroxyphenyl)acetamide
CID 64548850
2-methyl-3-phenyl-2-piperazin-1-ylpropanoic acid
CID 82239792

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-2-methyl-2-piperazin-1-ylpropyl)phenol?
The IUPAC name of 3-(3-amino-2-methyl-2-piperazin-1-ylpropyl)phenol (CID 84752324) is 3-(3-amino-2-methyl-2-piperazin-1-ylpropyl)phenol.
What is the SMILES notation for 3-(3-amino-2-methyl-2-piperazin-1-ylpropyl)phenol?
The canonical SMILES for 3-(3-amino-2-methyl-2-piperazin-1-ylpropyl)phenol is CC(CN)(Cc1cccc(O)c1)N1CCNCC1.
What is the InChIKey of 3-(3-amino-2-methyl-2-piperazin-1-ylpropyl)phenol?
The InChIKey is CZAOLZBOXHPSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-14(11-15,17-7-5-16-6-8-17)10-12-3-2-4-13(18)9-12/h2-4,9,16,18H,5-8,10-11,15H2,1H3.
What are the key properties of 3-(3-amino-2-methyl-2-piperazin-1-ylpropyl)phenol?
3-(3-amino-2-methyl-2-piperazin-1-ylpropyl)phenol has a molecular weight of 249.36 g/mol, XLogP of 0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-2-methyl-2-piperazin-1-ylpropyl)phenol is sourced from PubChem (CID 84752324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).