2-[4-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethylcarbamic acid

C14H19F3N4O2 — CID 66660605

IUPAC2-[4-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethylcarbamic acid
SMILESCC1(CCNC(=O)O)CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C14H19F3N4O2/c1-13(3-7-19-12(22)23)4-8-21(9-5-13)11-18-6-2-10(20-11)14(15,16)17/h2,6,19H,3-5,7-9H2,1H3,(H,22,23)
InChIKeyRSKCVTMDPQDAQS-UHFFFAOYSA-N
MW332.33 g/mol
LogP2.76
Rot. Bonds4

About 2-[4-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethylcarbamic acid

2-[4-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethylcarbamic acid (PubChem CID 66660605) has the molecular formula C14H19F3N4O2 and a molecular weight of 332.33 g/mol. Its IUPAC name is 2-[4-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethylcarbamic acid.

Molecular Properties

Compound Name2-[4-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethylcarbamic acid
PubChem CID66660605
Molecular FormulaC14H19F3N4O2
Molecular Weight332.33 g/mol
Exact Mass332.15
IUPAC Name2-[4-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethylcarbamic acid
SMILESCC1(CCNC(=O)O)CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C14H19F3N4O2/c1-13(3-7-19-12(22)23)4-8-21(9-5-13)11-18-6-2-10(20-11)14(15,16)17/h2,6,19H,3-5,7-9H2,1H3,(H,22,23)
InChIKeyRSKCVTMDPQDAQS-UHFFFAOYSA-N
XLogP2.76
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethylcarbamic acid?
The IUPAC name of 2-[4-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethylcarbamic acid (CID 66660605) is 2-[4-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethylcarbamic acid.
What is the SMILES notation for 2-[4-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethylcarbamic acid?
The canonical SMILES for 2-[4-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethylcarbamic acid is CC1(CCNC(=O)O)CCN(c2nccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 2-[4-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethylcarbamic acid?
The InChIKey is RSKCVTMDPQDAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O2/c1-13(3-7-19-12(22)23)4-8-21(9-5-13)11-18-6-2-10(20-11)14(15,16)17/h2,6,19H,3-5,7-9H2,1H3,(H,22,23).
What are the key properties of 2-[4-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethylcarbamic acid?
2-[4-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethylcarbamic acid has a molecular weight of 332.33 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethylcarbamic acid is sourced from PubChem (CID 66660605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).