3-(4-piperidin-4-yloxyphenyl)propanoic acid;hydrochloride

C14H20ClNO3 — CID 68915059

IUPAC3-(4-piperidin-4-yloxyphenyl)propanoic acid;hydrochloride
SMILESCl.O=C(O)CCc1ccc(OC2CCNCC2)cc1
InChIInChI=1S/C14H19NO3.ClH/c16-14(17)6-3-11-1-4-12(5-2-11)18-13-7-9-15-10-8-13;/h1-2,4-5,13,15H,3,6-10H2,(H,16,17);1H
InChIKeyUDKOFISEICYIOH-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.26
Rot. Bonds5

About 3-(4-piperidin-4-yloxyphenyl)propanoic acid;hydrochloride

3-(4-piperidin-4-yloxyphenyl)propanoic acid;hydrochloride (PubChem CID 68915059) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is 3-(4-piperidin-4-yloxyphenyl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-(4-piperidin-4-yloxyphenyl)propanoic acid;hydrochloride
PubChem CID68915059
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name3-(4-piperidin-4-yloxyphenyl)propanoic acid;hydrochloride
SMILESCl.O=C(O)CCc1ccc(OC2CCNCC2)cc1
InChIInChI=1S/C14H19NO3.ClH/c16-14(17)6-3-11-1-4-12(5-2-11)18-13-7-9-15-10-8-13;/h1-2,4-5,13,15H,3,6-10H2,(H,16,17);1H
InChIKeyUDKOFISEICYIOH-UHFFFAOYSA-N
XLogP2.26
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(4-piperidin-4-yloxyphenyl)propanoic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[4-(azepan-4-yloxy)phenyl]propanoate
CID 117095090
methyl 3-(4-pyrrolidin-3-yloxyphenyl)propanoate
CID 117095058
2-(6-piperidin-4-yloxynaphthalen-2-yl)acetic acid
CID 170886812
3-[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]propanoic acid
CID 117095179
2-(4-piperidin-4-yloxyphenyl)acetaldehyde
CID 90039130
4-[4-(thian-4-yloxy)phenyl]butanoic acid
CID 117450375
2-(2-hydroxy-4-piperidin-4-yloxyphenyl)acetic acid
CID 84618104
6-[2-[3-(4-piperidin-4-yloxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid;hydrochloride
CID 24801051
methyl 4-piperidin-4-yloxybenzoate;hydrochloride
CID 53410621
1-(4-cyclopropyloxyphenyl)-4-methylpentan-3-one
CID 114520119
3-[4-(cyclopropylmethoxy)phenyl]propanoic acid
CID 25019180
5-[4-(3-methylcyclobutyl)oxyphenyl]pentanoic acid
CID 70920975

Frequently Asked Questions

What is the IUPAC name of 3-(4-piperidin-4-yloxyphenyl)propanoic acid;hydrochloride?
The IUPAC name of 3-(4-piperidin-4-yloxyphenyl)propanoic acid;hydrochloride (CID 68915059) is 3-(4-piperidin-4-yloxyphenyl)propanoic acid;hydrochloride.
What is the SMILES notation for 3-(4-piperidin-4-yloxyphenyl)propanoic acid;hydrochloride?
The canonical SMILES for 3-(4-piperidin-4-yloxyphenyl)propanoic acid;hydrochloride is Cl.O=C(O)CCc1ccc(OC2CCNCC2)cc1.
What is the InChIKey of 3-(4-piperidin-4-yloxyphenyl)propanoic acid;hydrochloride?
The InChIKey is UDKOFISEICYIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3.ClH/c16-14(17)6-3-11-1-4-12(5-2-11)18-13-7-9-15-10-8-13;/h1-2,4-5,13,15H,3,6-10H2,(H,16,17);1H.
What are the key properties of 3-(4-piperidin-4-yloxyphenyl)propanoic acid;hydrochloride?
3-(4-piperidin-4-yloxyphenyl)propanoic acid;hydrochloride has a molecular weight of 285.77 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-piperidin-4-yloxyphenyl)propanoic acid;hydrochloride is sourced from PubChem (CID 68915059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).