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

C12H17F2N3O2 — CID 61009718

IUPAC2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1Cc1nccn1C(F)F
InChIInChI=1S/C12H17F2N3O2/c13-12(14)17-6-4-15-10(17)8-16-5-2-1-3-9(16)7-11(18)19/h4,6,9,12H,1-3,5,7-8H2,(H,18,19)
InChIKeyZYAQKLSHARVKOP-UHFFFAOYSA-N
MW273.28 g/mol
LogP2.11
Rot. Bonds5

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

2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-2-yl]acetic acid (PubChem CID 61009718) has the molecular formula C12H17F2N3O2 and a molecular weight of 273.28 g/mol. Its IUPAC name is 2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-2-yl]acetic acid
PubChem CID61009718
Molecular FormulaC12H17F2N3O2
Molecular Weight273.28 g/mol
Exact Mass273.13
IUPAC Name2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1Cc1nccn1C(F)F
InChIInChI=1S/C12H17F2N3O2/c13-12(14)17-6-4-15-10(17)8-16-5-2-1-3-9(16)7-11(18)19/h4,6,9,12H,1-3,5,7-8H2,(H,18,19)
InChIKeyZYAQKLSHARVKOP-UHFFFAOYSA-N
XLogP2.11
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1H-Imidazole-1-octanoic acid
CID 125737
8-Imidazol-1-yloctanoic acid hydrochloride
CID 12870425
7-Imidazol-1-ylheptanoic acid;hydrochloride
CID 12870526
10-(1H-imidazol-1-yl)decanoic acid
CID 12803316
12-(1H-imidazol-1-yl)dodecanoic acid
CID 12803318
7-(2-Methylimidazol-1-yl)heptanoic acid;hydrochloride
CID 12870528
12-(1-Methylimidazol-2-yl)dodecanoic acid
CID 454102
7-(1-Imidazolyl)heptanoic acid
CID 173117
6-[2-[(E)-hydroxyiminomethyl]imidazol-1-yl]hexanoic acid
CID 137639812
12-(1H-Imidazol-1-yl)octadecanoic acid
CID 53364399
11-(1H-Imidazol-1-yl)undecanoic acid
CID 12803317
3-(10-Carboxydecyl)-1-methylimidazolium bromide
CID 87318935

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-2-yl]acetic acid (CID 61009718) is 2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-2-yl]acetic acid is O=C(O)CC1CCCCN1Cc1nccn1C(F)F.
What is the InChIKey of 2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-2-yl]acetic acid?
The InChIKey is ZYAQKLSHARVKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3O2/c13-12(14)17-6-4-15-10(17)8-16-5-2-1-3-9(16)7-11(18)19/h4,6,9,12H,1-3,5,7-8H2,(H,18,19).
What are the key properties of 2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-2-yl]acetic acid?
2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-2-yl]acetic acid has a molecular weight of 273.28 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 61009718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).