3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanoic acid

C13H18N2O3 — CID 134069455

IUPAC3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C13H18N2O3/c16-12-3-1-11(2-4-12)15-9-7-14(8-10-15)6-5-13(17)18/h1-4,16H,5-10H2,(H,17,18)
InChIKeyVYFXRWWCMYYXOE-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.99
Rot. Bonds4

About 3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanoic acid

3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanoic acid (PubChem CID 134069455) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanoic acid
PubChem CID134069455
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C13H18N2O3/c16-12-3-1-11(2-4-12)15-9-7-14(8-10-15)6-5-13(17)18/h1-4,16H,5-10H2,(H,17,18)
InChIKeyVYFXRWWCMYYXOE-UHFFFAOYSA-N
XLogP0.99
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(4-bromophenyl)piperazin-1-yl]propanoic acid
CID 82124984
3-[4-(3,4-difluorophenyl)piperazin-1-yl]propanoic acid
CID 82488130
3-[4-(3,4-dichlorophenyl)piperazin-1-yl]propanoic acid
CID 22337271
4-[4-(6-phenylhexyl)piperazin-1-yl]phenol
CID 69479444
3-[4-(3-fluorophenyl)piperazin-1-yl]propanoic acid
CID 82119624
3-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethylsulfonyl]propanamide
CID 9115904
1-(2,3-dihydroindol-1-yl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 30099955
3-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid;dihydrochloride
CID 43810604
N-(4-cyanophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 30400948
N-(4-chloro-2-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 30099925
3-[4-(3-cyanophenyl)piperazin-1-yl]propanoic acid
CID 117028290
4-[4-(4-hydroxyphenyl)piperazin-1-yl]-2,2-diphenylbutanenitrile
CID 112799666

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanoic acid (CID 134069455) is 3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanoic acid is O=C(O)CCN1CCN(c2ccc(O)cc2)CC1.
What is the InChIKey of 3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanoic acid?
The InChIKey is VYFXRWWCMYYXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-12-3-1-11(2-4-12)15-9-7-14(8-10-15)6-5-13(17)18/h1-4,16H,5-10H2,(H,17,18).
What are the key properties of 3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanoic acid?
3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanoic acid has a molecular weight of 250.30 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 134069455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).