2-[4-(difluoromethyl)piperidin-1-yl]acetic acid

C8H13F2NO2 — CID 121215401

IUPAC2-[4-(difluoromethyl)piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(C(F)F)CC1
InChIInChI=1S/C8H13F2NO2/c9-8(10)6-1-3-11(4-2-6)5-7(12)13/h6,8H,1-5H2,(H,12,13)
InChIKeyVYDBWVPGLPVSMA-UHFFFAOYSA-N
MW193.19 g/mol
LogP1.05
Rot. Bonds3

About 2-[4-(difluoromethyl)piperidin-1-yl]acetic acid

2-[4-(difluoromethyl)piperidin-1-yl]acetic acid (PubChem CID 121215401) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(difluoromethyl)piperidin-1-yl]acetic acid
PubChem CID121215401
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name2-[4-(difluoromethyl)piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(C(F)F)CC1
InChIInChI=1S/C8H13F2NO2/c9-8(10)6-1-3-11(4-2-6)5-7(12)13/h6,8H,1-5H2,(H,12,13)
InChIKeyVYDBWVPGLPVSMA-UHFFFAOYSA-N
XLogP1.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(difluoromethyl)piperidin-1-yl]acetic acid
CID 121215404
2-[4-(dimethoxymethyl)piperidin-1-yl]acetic acid
CID 168896378
2-(4-methylpiperidin-1-yl)acetic acid
CID 3153128
copper 2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid
CID 6398176
2-[4-(cyclopropylamino)piperidin-1-yl]acetic acid
CID 145176317
2-[4-(propan-2-ylamino)piperidin-1-yl]acetic acid
CID 163704701
2-[5-(carboxymethyl)-1,5-diazocan-1-yl]acetic acid
CID 4776245
2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]acetic acid
CID 119135422
2-[4-(difluoromethyl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 166601670
2-(4-ethenylpiperidin-1-yl)acetic acid;hydrochloride
CID 131134631
4-(difluoromethyl)-N-methylpiperidine-1-carboxamide
CID 130751806
1-[2-hydroxy-3-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]propyl]piperidine-4-carboxylic acid
CID 129236518

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)piperidin-1-yl]acetic acid?
The IUPAC name of 2-[4-(difluoromethyl)piperidin-1-yl]acetic acid (CID 121215401) is 2-[4-(difluoromethyl)piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(difluoromethyl)piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(difluoromethyl)piperidin-1-yl]acetic acid is O=C(O)CN1CCC(C(F)F)CC1.
What is the InChIKey of 2-[4-(difluoromethyl)piperidin-1-yl]acetic acid?
The InChIKey is VYDBWVPGLPVSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2/c9-8(10)6-1-3-11(4-2-6)5-7(12)13/h6,8H,1-5H2,(H,12,13).
What are the key properties of 2-[4-(difluoromethyl)piperidin-1-yl]acetic acid?
2-[4-(difluoromethyl)piperidin-1-yl]acetic acid has a molecular weight of 193.19 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)piperidin-1-yl]acetic acid is sourced from PubChem (CID 121215401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).