3-[3-(3-chlorophenoxy)piperidin-1-yl]propanoic acid

C14H18ClNO3 — CID 84755659

IUPAC3-[3-(3-chlorophenoxy)piperidin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCCC(Oc2cccc(Cl)c2)C1
InChIInChI=1S/C14H18ClNO3/c15-11-3-1-4-12(9-11)19-13-5-2-7-16(10-13)8-6-14(17)18/h1,3-4,9,13H,2,5-8,10H2,(H,17,18)
InChIKeyJCLJOHNEJVYQHA-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.66
Rot. Bonds5

About 3-[3-(3-chlorophenoxy)piperidin-1-yl]propanoic acid

3-[3-(3-chlorophenoxy)piperidin-1-yl]propanoic acid (PubChem CID 84755659) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 3-[3-(3-chlorophenoxy)piperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-(3-chlorophenoxy)piperidin-1-yl]propanoic acid
PubChem CID84755659
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name3-[3-(3-chlorophenoxy)piperidin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCCC(Oc2cccc(Cl)c2)C1
InChIInChI=1S/C14H18ClNO3/c15-11-3-1-4-12(9-11)19-13-5-2-7-16(10-13)8-6-14(17)18/h1,3-4,9,13H,2,5-8,10H2,(H,17,18)
InChIKeyJCLJOHNEJVYQHA-UHFFFAOYSA-N
XLogP2.66
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3S)-3-(3,4-dichlorophenoxy)piperidin-1-yl]propanoic acid
CID 124704526
3-[3-(3,4-difluorophenoxy)piperidin-1-yl]propanoic acid
CID 84755669
3-[3-(2,6-dichlorophenoxy)piperidin-1-yl]propanoic acid
CID 84755674
3-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)piperidin-1-yl]propanoic acid
CID 84755666
1-[3-[3-(3-chlorophenoxy)azetidin-1-yl]propanoyl]piperidine-4-carboxylic acid
CID 91840541
3-[3-(2-propan-2-ylphenoxy)piperidin-1-yl]propanoic acid
CID 84755647
3-[3-(4-methyl-3-nitrophenoxy)piperidin-1-yl]propanoic acid
CID 84755672
3-[3-(2-methoxyphenoxy)piperidin-1-yl]propanoic acid
CID 84755639
3-[3-(2,4-dimethylphenoxy)piperidin-1-yl]propanoic acid
CID 84755635
4-(3-chlorophenoxy)piperidine-1-carboxylic acid
CID 22353407
2-[3-(3-chlorophenoxy)pyrrolidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120977338
3-[3-[(3-cyanophenyl)methoxy]piperidin-1-yl]propanoic acid
CID 84755389

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-chlorophenoxy)piperidin-1-yl]propanoic acid?
The IUPAC name of 3-[3-(3-chlorophenoxy)piperidin-1-yl]propanoic acid (CID 84755659) is 3-[3-(3-chlorophenoxy)piperidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[3-(3-chlorophenoxy)piperidin-1-yl]propanoic acid?
The canonical SMILES for 3-[3-(3-chlorophenoxy)piperidin-1-yl]propanoic acid is O=C(O)CCN1CCCC(Oc2cccc(Cl)c2)C1.
What is the InChIKey of 3-[3-(3-chlorophenoxy)piperidin-1-yl]propanoic acid?
The InChIKey is JCLJOHNEJVYQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c15-11-3-1-4-12(9-11)19-13-5-2-7-16(10-13)8-6-14(17)18/h1,3-4,9,13H,2,5-8,10H2,(H,17,18).
What are the key properties of 3-[3-(3-chlorophenoxy)piperidin-1-yl]propanoic acid?
3-[3-(3-chlorophenoxy)piperidin-1-yl]propanoic acid has a molecular weight of 283.75 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-chlorophenoxy)piperidin-1-yl]propanoic acid is sourced from PubChem (CID 84755659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).