3-[1-[(3-chloro-4-hydroxyphenyl)methyl]piperidin-4-yl]propanoic acid

C15H20ClNO3 — CID 65062881

IUPAC3-[1-[(3-chloro-4-hydroxyphenyl)methyl]piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(Cc2ccc(O)c(Cl)c2)CC1
InChIInChI=1S/C15H20ClNO3/c16-13-9-12(1-3-14(13)18)10-17-7-5-11(6-8-17)2-4-15(19)20/h1,3,9,11,18H,2,4-8,10H2,(H,19,20)
InChIKeyHHSORILYDOHCKZ-UHFFFAOYSA-N
MW297.78 g/mol
LogP3.12
Rot. Bonds5

About 3-[1-[(3-chloro-4-hydroxyphenyl)methyl]piperidin-4-yl]propanoic acid

3-[1-[(3-chloro-4-hydroxyphenyl)methyl]piperidin-4-yl]propanoic acid (PubChem CID 65062881) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is 3-[1-[(3-chloro-4-hydroxyphenyl)methyl]piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[(3-chloro-4-hydroxyphenyl)methyl]piperidin-4-yl]propanoic acid
PubChem CID65062881
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name3-[1-[(3-chloro-4-hydroxyphenyl)methyl]piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(Cc2ccc(O)c(Cl)c2)CC1
InChIInChI=1S/C15H20ClNO3/c16-13-9-12(1-3-14(13)18)10-17-7-5-11(6-8-17)2-4-15(19)20/h1,3,9,11,18H,2,4-8,10H2,(H,19,20)
InChIKeyHHSORILYDOHCKZ-UHFFFAOYSA-N
XLogP3.12
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[(4-iodophenyl)methyl]piperidin-4-yl]propanoic acid
CID 65477435
3-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]propanoic acid
CID 62216848
2-chloro-4-[[4-[2-(diethylamino)ethyl]piperidin-1-yl]methyl]phenol
CID 142098999
3-(1-benzylazepan-4-yl)propanoic acid
CID 82624039
2-chloro-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenol
CID 82981318
3-[1-[(3-bromophenyl)methyl]piperidin-4-yl]propanoic acid
CID 62217880
2-chloro-4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenol
CID 80550899
3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]propanoic acid
CID 65062691
3-[1-[(3,5-dimethylphenyl)methyl]piperidin-4-yl]propanoic acid
CID 62216017
2-chloro-4-(pyrrolidin-1-ylmethyl)phenol
CID 78960004
3-[1-[(5-chloro-2-fluorophenyl)methyl]piperidin-4-yl]propanoic acid
CID 114866899
2-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]ethanol
CID 10637061

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3-chloro-4-hydroxyphenyl)methyl]piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-[(3-chloro-4-hydroxyphenyl)methyl]piperidin-4-yl]propanoic acid (CID 65062881) is 3-[1-[(3-chloro-4-hydroxyphenyl)methyl]piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-[(3-chloro-4-hydroxyphenyl)methyl]piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-[(3-chloro-4-hydroxyphenyl)methyl]piperidin-4-yl]propanoic acid is O=C(O)CCC1CCN(Cc2ccc(O)c(Cl)c2)CC1.
What is the InChIKey of 3-[1-[(3-chloro-4-hydroxyphenyl)methyl]piperidin-4-yl]propanoic acid?
The InChIKey is HHSORILYDOHCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c16-13-9-12(1-3-14(13)18)10-17-7-5-11(6-8-17)2-4-15(19)20/h1,3,9,11,18H,2,4-8,10H2,(H,19,20).
What are the key properties of 3-[1-[(3-chloro-4-hydroxyphenyl)methyl]piperidin-4-yl]propanoic acid?
3-[1-[(3-chloro-4-hydroxyphenyl)methyl]piperidin-4-yl]propanoic acid has a molecular weight of 297.78 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3-chloro-4-hydroxyphenyl)methyl]piperidin-4-yl]propanoic acid is sourced from PubChem (CID 65062881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).