2-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]acetic acid

C10H16F3NO2 — CID 79605681

IUPAC2-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)3-6-14-4-1-8(2-5-14)7-9(15)16/h8H,1-7H2,(H,15,16)
InChIKeySSAKNCNMXYRBPE-UHFFFAOYSA-N
MW239.24 g/mol
LogP2.13
Rot. Bonds4

About 2-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]acetic acid

2-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]acetic acid (PubChem CID 79605681) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 2-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]acetic acid
PubChem CID79605681
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name2-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)3-6-14-4-1-8(2-5-14)7-9(15)16/h8H,1-7H2,(H,15,16)
InChIKeySSAKNCNMXYRBPE-UHFFFAOYSA-N
XLogP2.13
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3,3-difluorobutyl)piperidin-4-yl]acetic acid
CID 84698559
N-methyl-2-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]acetamide
CID 50968311
2-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-yl]acetic acid
CID 116616826
1-(3,3,3-trifluoropropyl)piperidine-4-carboxylic acid
CID 59333911
2-(1-propylpiperidin-4-yl)acetic acid;hydrochloride
CID 75530728
1-(3,3,3-trifluoropropyl)piperidine-4-carbonyl chloride
CID 59333934
2-[1-[3-(methylamino)-3-oxopropyl]piperidin-4-yl]acetic acid
CID 79609077
1-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxylic acid
CID 64566121
2-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-4-yl]acetic acid
CID 79609155
N-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methyl]propan-1-amine
CID 64565266
2-[1-(6,6,6-trifluorohexan-2-yl)piperidin-4-yl]acetic acid
CID 116536242
1-(3,3,3-trifluoropropyl)piperidin-4-amine;dihydrochloride
CID 90482882

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]acetic acid (CID 79605681) is 2-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]acetic acid is O=C(O)CC1CCN(CCC(F)(F)F)CC1.
What is the InChIKey of 2-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]acetic acid?
The InChIKey is SSAKNCNMXYRBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c11-10(12,13)3-6-14-4-1-8(2-5-14)7-9(15)16/h8H,1-7H2,(H,15,16).
What are the key properties of 2-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]acetic acid?
2-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]acetic acid has a molecular weight of 239.24 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 79605681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).