3-(4-benzylpiperazin-1-yl)propanoic acid

C14H20N2O2 — CID 934211

IUPAC3-(4-benzylpiperazin-1-yl)propanoic acid
SMILESO=C(O)CCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H20N2O2/c17-14(18)6-7-15-8-10-16(11-9-15)12-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,17,18)
InChIKeyOKMRLRFCLKDMTG-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.28
Rot. Bonds5

About 3-(4-benzylpiperazin-1-yl)propanoic acid

3-(4-benzylpiperazin-1-yl)propanoic acid (PubChem CID 934211) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-(4-benzylpiperazin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-benzylpiperazin-1-yl)propanoic acid
PubChem CID934211
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-(4-benzylpiperazin-1-yl)propanoic acid
SMILESO=C(O)CCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H20N2O2/c17-14(18)6-7-15-8-10-16(11-9-15)12-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,17,18)
InChIKeyOKMRLRFCLKDMTG-UHFFFAOYSA-N
XLogP1.28
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[Benzyl-(2-Methoxycarbonyl-Ethyl)-Amino]-Propionic Acid Methyl Ester
CID 69926
N-Benzyl-beta-alanine
CID 225173
1-Benzylazetidine-3-carboxylic acid
CID 3161318
Ammonium, benzyltriethyl-, acetate
CID 52126
3-(Benzyl(tert-butoxycarbonyl)amino)propanoic acid
CID 2760953
1-Benzylpiperidine-4-carboxylic acid
CID 4714983
N-Benzyl-3,3'-iminodipropionic Acid
CID 56973687
2-(4-Benzylpiperazin-1-yl)acetic acid dihydrochloride
CID 18593173
1-(4-Benzylpiperazin-1-yl)propan-1-one
CID 735819
(4-Benzyl-piperazin-1-yl)-acetic acid
CID 1402890
3-[[4-(Aminomethyl)phenyl]methylamino]propanoic acid
CID 5158929
1-Benzyl-4-propionyloxypiperidine
CID 11959669

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperazin-1-yl)propanoic acid?
The IUPAC name of 3-(4-benzylpiperazin-1-yl)propanoic acid (CID 934211) is 3-(4-benzylpiperazin-1-yl)propanoic acid.
What is the SMILES notation for 3-(4-benzylpiperazin-1-yl)propanoic acid?
The canonical SMILES for 3-(4-benzylpiperazin-1-yl)propanoic acid is O=C(O)CCN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 3-(4-benzylpiperazin-1-yl)propanoic acid?
The InChIKey is OKMRLRFCLKDMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c17-14(18)6-7-15-8-10-16(11-9-15)12-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,17,18).
What are the key properties of 3-(4-benzylpiperazin-1-yl)propanoic acid?
3-(4-benzylpiperazin-1-yl)propanoic acid has a molecular weight of 248.33 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperazin-1-yl)propanoic acid is sourced from PubChem (CID 934211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).