4-[3-(4-aminopiperidin-1-yl)propoxy]benzoic acid

C15H22N2O3 — CID 129300145

IUPAC4-[3-(4-aminopiperidin-1-yl)propoxy]benzoic acid
SMILESNC1CCN(CCCOc2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C15H22N2O3/c16-13-6-9-17(10-7-13)8-1-11-20-14-4-2-12(3-5-14)15(18)19/h2-5,13H,1,6-11,16H2,(H,18,19)
InChIKeyOESMDECYSAJOEO-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.58
Rot. Bonds6

About 4-[3-(4-aminopiperidin-1-yl)propoxy]benzoic acid

4-[3-(4-aminopiperidin-1-yl)propoxy]benzoic acid (PubChem CID 129300145) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-[3-(4-aminopiperidin-1-yl)propoxy]benzoic acid.

Molecular Properties

Compound Name4-[3-(4-aminopiperidin-1-yl)propoxy]benzoic acid
PubChem CID129300145
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-[3-(4-aminopiperidin-1-yl)propoxy]benzoic acid
SMILESNC1CCN(CCCOc2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C15H22N2O3/c16-13-6-9-17(10-7-13)8-1-11-20-14-4-2-12(3-5-14)15(18)19/h2-5,13H,1,6-11,16H2,(H,18,19)
InChIKeyOESMDECYSAJOEO-UHFFFAOYSA-N
XLogP1.58
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propoxy]benzoic acid
CID 64582622
4-[3-(4,4-dimethylpiperidin-1-yl)propoxy]benzoic acid
CID 63074580
1-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]phenyl]methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid
CID 167948430
1-[4-[3-[(3R)-3-aminopyrrolidin-1-yl]propoxy]phenyl]propan-1-one;1-(4-hydroxyphenyl)propan-1-one
CID 161420782
4-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzoic acid
CID 18678227
4-(3-pyrrolidin-1-ylpropoxy)benzamide
CID 91431700
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809
4-[2-(4-oxopiperidin-1-yl)ethoxy]benzoic acid
CID 22685674
[(Z)-[[4-[3-[1-[3-[4-[(Z)-N'-acetyloxycarbamimidoyl]phenoxy]propyl]piperidin-4-yl]propoxy]phenyl]-aminomethylidene]amino] acetate
CID 59263022
1-[2-(4-propoxyphenoxy)ethyl]piperidin-4-amine
CID 43556436
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 14968317
4-[3-[3-(trifluoromethyl)piperidin-1-yl]propoxy]benzoic acid
CID 166176353

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-aminopiperidin-1-yl)propoxy]benzoic acid?
The IUPAC name of 4-[3-(4-aminopiperidin-1-yl)propoxy]benzoic acid (CID 129300145) is 4-[3-(4-aminopiperidin-1-yl)propoxy]benzoic acid.
What is the SMILES notation for 4-[3-(4-aminopiperidin-1-yl)propoxy]benzoic acid?
The canonical SMILES for 4-[3-(4-aminopiperidin-1-yl)propoxy]benzoic acid is NC1CCN(CCCOc2ccc(C(=O)O)cc2)CC1.
What is the InChIKey of 4-[3-(4-aminopiperidin-1-yl)propoxy]benzoic acid?
The InChIKey is OESMDECYSAJOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c16-13-6-9-17(10-7-13)8-1-11-20-14-4-2-12(3-5-14)15(18)19/h2-5,13H,1,6-11,16H2,(H,18,19).
What are the key properties of 4-[3-(4-aminopiperidin-1-yl)propoxy]benzoic acid?
4-[3-(4-aminopiperidin-1-yl)propoxy]benzoic acid has a molecular weight of 278.35 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-aminopiperidin-1-yl)propoxy]benzoic acid is sourced from PubChem (CID 129300145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).