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

C13H21N3O — CID 84748340

IUPAC3-(2-amino-2-piperazin-1-ylpropyl)phenol
SMILESCC(N)(Cc1cccc(O)c1)N1CCNCC1
InChIInChI=1S/C13H21N3O/c1-13(14,16-7-5-15-6-8-16)10-11-3-2-4-12(17)9-11/h2-4,9,15,17H,5-8,10,14H2,1H3
InChIKeyBLZCGZOMHDJYTI-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.51
Rot. Bonds3

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

3-(2-amino-2-piperazin-1-ylpropyl)phenol (PubChem CID 84748340) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(2-amino-2-piperazin-1-ylpropyl)phenol.

Molecular Properties

Compound Name3-(2-amino-2-piperazin-1-ylpropyl)phenol
PubChem CID84748340
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-(2-amino-2-piperazin-1-ylpropyl)phenol
SMILESCC(N)(Cc1cccc(O)c1)N1CCNCC1
InChIInChI=1S/C13H21N3O/c1-13(14,16-7-5-15-6-8-16)10-11-3-2-4-12(17)9-11/h2-4,9,15,17H,5-8,10,14H2,1H3
InChIKeyBLZCGZOMHDJYTI-UHFFFAOYSA-N
XLogP0.51
TPSA61.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-amino-2-pyrrolidin-1-ylpropyl)phenol;hydrochloride
CID 67598749
3-(3-amino-2-methyl-2-piperazin-1-ylpropyl)phenol
CID 84752324
3-(3-amino-3-methylbutyl)phenol
CID 19863682
4-[(3-hydroxyphenyl)methyl]-1,4-diazepan-5-one
CID 115100485
2-(azepan-1-yl)-3-(3-hydroxyphenyl)-2-methylpropanenitrile
CID 84751674
2-amino-3-(3-hydroxyphenyl)-2-methylpropanoic acid;hydrate
CID 2729001
2-(azepan-1-yl)-1-(3-propan-2-yloxyphenyl)propan-2-amine
CID 84747598
2-methyl-3-phenyl-2-piperazin-1-ylpropanoic acid
CID 82239792
3-[(1,1-dioxo-1,2,5-thiadiazepan-2-yl)methyl]phenol
CID 115101053
2-benzyl-2-piperazin-1-ylbutanoic acid
CID 79008570
3-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol
CID 171272827
1-[2-methyl-4-(3-methylphenyl)butan-2-yl]piperazine
CID 82295520

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-piperazin-1-ylpropyl)phenol?
The IUPAC name of 3-(2-amino-2-piperazin-1-ylpropyl)phenol (CID 84748340) is 3-(2-amino-2-piperazin-1-ylpropyl)phenol.
What is the SMILES notation for 3-(2-amino-2-piperazin-1-ylpropyl)phenol?
The canonical SMILES for 3-(2-amino-2-piperazin-1-ylpropyl)phenol is CC(N)(Cc1cccc(O)c1)N1CCNCC1.
What is the InChIKey of 3-(2-amino-2-piperazin-1-ylpropyl)phenol?
The InChIKey is BLZCGZOMHDJYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-13(14,16-7-5-15-6-8-16)10-11-3-2-4-12(17)9-11/h2-4,9,15,17H,5-8,10,14H2,1H3.
What are the key properties of 3-(2-amino-2-piperazin-1-ylpropyl)phenol?
3-(2-amino-2-piperazin-1-ylpropyl)phenol has a molecular weight of 235.33 g/mol, XLogP of 0.51, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-piperazin-1-ylpropyl)phenol is sourced from PubChem (CID 84748340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).