3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]oxypropanoic acid

C15H20ClNO3 — CID 63903233

IUPAC3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]oxypropanoic acid
SMILESO=C(O)CCOC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H20ClNO3/c16-13-3-1-12(2-4-13)11-17-8-5-14(6-9-17)20-10-7-15(18)19/h1-4,14H,5-11H2,(H,18,19)
InChIKeyTUIPUMROINJYRT-UHFFFAOYSA-N
MW297.78 g/mol
LogP2.80
Rot. Bonds6

About 3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]oxypropanoic acid

3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]oxypropanoic acid (PubChem CID 63903233) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is 3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]oxypropanoic acid.

Molecular Properties

Compound Name3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]oxypropanoic acid
PubChem CID63903233
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]oxypropanoic acid
SMILESO=C(O)CCOC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H20ClNO3/c16-13-3-1-12(2-4-13)11-17-8-5-14(6-9-17)20-10-7-15(18)19/h1-4,14H,5-11H2,(H,18,19)
InChIKeyTUIPUMROINJYRT-UHFFFAOYSA-N
XLogP2.80
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[(4-iodophenyl)methyl]piperidin-4-yl]oxypropanoic acid
CID 65479275
3-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]oxypropanoic acid
CID 65065674
3-[1-[(3-chloro-4-methylphenyl)methyl]piperidin-4-yl]oxypropanoic acid
CID 106818963
3-[1-[(3-bromo-4-chlorophenyl)methyl]piperidin-4-yl]oxypropanoic acid
CID 83233579
3-[1-[(2-bromo-5-chlorophenyl)methyl]piperidin-4-yl]oxypropanoic acid
CID 66157692
3-(1-benzylpiperidin-4-yl)oxypropanamide
CID 2779233
3-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]oxypropanoic acid
CID 114489078
3-[1-[(5-bromo-2-fluorophenyl)methyl]piperidin-4-yl]oxypropanoic acid
CID 63905518
3-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]oxypropanoic acid
CID 63904751
2-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]oxyacetic acid
CID 65065469
[1-[(4-chlorophenyl)methyl]piperidin-4-yl] 4-chlorobenzoate;hydrochloride
CID 18919932
3-[1-(2-aminoethyl)piperidin-4-yl]oxypropanoic acid
CID 63904578

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]oxypropanoic acid?
The IUPAC name of 3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]oxypropanoic acid (CID 63903233) is 3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]oxypropanoic acid.
What is the SMILES notation for 3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]oxypropanoic acid?
The canonical SMILES for 3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]oxypropanoic acid is O=C(O)CCOC1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]oxypropanoic acid?
The InChIKey is TUIPUMROINJYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c16-13-3-1-12(2-4-13)11-17-8-5-14(6-9-17)20-10-7-15(18)19/h1-4,14H,5-11H2,(H,18,19).
What are the key properties of 3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]oxypropanoic acid?
3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]oxypropanoic acid has a molecular weight of 297.78 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]oxypropanoic acid is sourced from PubChem (CID 63903233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).