2-(1-benzyl-4-hydroxypiperidin-4-yl)-2,2-difluoroacetic acid

C14H17F2NO3 — CID 62399064

IUPAC2-(1-benzyl-4-hydroxypiperidin-4-yl)-2,2-difluoroacetic acid
SMILESO=C(O)C(F)(F)C1(O)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H17F2NO3/c15-14(16,12(18)19)13(20)6-8-17(9-7-13)10-11-4-2-1-3-5-11/h1-5,20H,6-10H2,(H,18,19)
InChIKeyCYDZGTOJWSORBM-UHFFFAOYSA-N
MW285.29 g/mol
LogP1.73
Rot. Bonds4

About 2-(1-benzyl-4-hydroxypiperidin-4-yl)-2,2-difluoroacetic acid

2-(1-benzyl-4-hydroxypiperidin-4-yl)-2,2-difluoroacetic acid (PubChem CID 62399064) has the molecular formula C14H17F2NO3 and a molecular weight of 285.29 g/mol. Its IUPAC name is 2-(1-benzyl-4-hydroxypiperidin-4-yl)-2,2-difluoroacetic acid.

Molecular Properties

Compound Name2-(1-benzyl-4-hydroxypiperidin-4-yl)-2,2-difluoroacetic acid
PubChem CID62399064
Molecular FormulaC14H17F2NO3
Molecular Weight285.29 g/mol
Exact Mass285.12
IUPAC Name2-(1-benzyl-4-hydroxypiperidin-4-yl)-2,2-difluoroacetic acid
SMILESO=C(O)C(F)(F)C1(O)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H17F2NO3/c15-14(16,12(18)19)13(20)6-8-17(9-7-13)10-11-4-2-1-3-5-11/h1-5,20H,6-10H2,(H,18,19)
InChIKeyCYDZGTOJWSORBM-UHFFFAOYSA-N
XLogP1.73
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-methylpiperidin-4-ol
CID 10845913
2-[1-[(4-chlorothiophen-2-yl)methyl]-4-hydroxyazepan-4-yl]-2,2-difluoroacetic acid
CID 139016654
1-benzyl-3-methylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid
CID 159201320
3-(1-benzyl-4-hydroxypiperidin-4-yl)propanoic acid
CID 66322768
1-benzyl-4-(3,5-difluorophenyl)piperidin-4-ol
CID 139966182
8-benzyl-4-hydroxy-3,4-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 67901829
1-benzyl-4-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxylic acid;hydrochloride
CID 71758384
1-benzyl-4-hydroxypiperidine-4-sulfonic acid
CID 103574365
1-benzyl-4-(4-fluorophenyl)piperidin-4-ol;hydrochloride
CID 71627119
1-benzyl-4-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxamide
CID 154385489
tert-butyl 2-amino-2-(1-benzyl-4-hydroxypiperidin-4-yl)acetate
CID 69414976
2-(1-benzyl-4-hydroxypiperidin-4-yl)-1-phenylethanone;hydrobromide
CID 67119844

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-4-hydroxypiperidin-4-yl)-2,2-difluoroacetic acid?
The IUPAC name of 2-(1-benzyl-4-hydroxypiperidin-4-yl)-2,2-difluoroacetic acid (CID 62399064) is 2-(1-benzyl-4-hydroxypiperidin-4-yl)-2,2-difluoroacetic acid.
What is the SMILES notation for 2-(1-benzyl-4-hydroxypiperidin-4-yl)-2,2-difluoroacetic acid?
The canonical SMILES for 2-(1-benzyl-4-hydroxypiperidin-4-yl)-2,2-difluoroacetic acid is O=C(O)C(F)(F)C1(O)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-(1-benzyl-4-hydroxypiperidin-4-yl)-2,2-difluoroacetic acid?
The InChIKey is CYDZGTOJWSORBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO3/c15-14(16,12(18)19)13(20)6-8-17(9-7-13)10-11-4-2-1-3-5-11/h1-5,20H,6-10H2,(H,18,19).
What are the key properties of 2-(1-benzyl-4-hydroxypiperidin-4-yl)-2,2-difluoroacetic acid?
2-(1-benzyl-4-hydroxypiperidin-4-yl)-2,2-difluoroacetic acid has a molecular weight of 285.29 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-4-hydroxypiperidin-4-yl)-2,2-difluoroacetic acid is sourced from PubChem (CID 62399064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).