5-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-1-yl]-2-(trifluoromethyl)pyrimidine

C19H29F3N4 — CID 11660709

IUPAC5-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-1-yl]-2-(trifluoromethyl)pyrimidine
SMILESCC(C)N1CCC(CC2CCN(c3cnc(C(F)(F)F)nc3)CC2)CC1
InChIInChI=1S/C19H29F3N4/c1-14(2)25-7-3-15(4-8-25)11-16-5-9-26(10-6-16)17-12-23-18(24-13-17)19(20,21)22/h12-16H,3-11H2,1-2H3
InChIKeyDTKADBHDLOHVOU-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.22
Rot. Bonds4

About 5-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-1-yl]-2-(trifluoromethyl)pyrimidine

5-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-1-yl]-2-(trifluoromethyl)pyrimidine (PubChem CID 11660709) has the molecular formula C19H29F3N4 and a molecular weight of 370.46 g/mol. Its IUPAC name is 5-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-1-yl]-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-1-yl]-2-(trifluoromethyl)pyrimidine
PubChem CID11660709
Molecular FormulaC19H29F3N4
Molecular Weight370.46 g/mol
Exact Mass370.23
IUPAC Name5-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-1-yl]-2-(trifluoromethyl)pyrimidine
SMILESCC(C)N1CCC(CC2CCN(c3cnc(C(F)(F)F)nc3)CC2)CC1
InChIInChI=1S/C19H29F3N4/c1-14(2)25-7-3-15(4-8-25)11-16-5-9-26(10-6-16)17-12-23-18(24-13-17)19(20,21)22/h12-16H,3-11H2,1-2H3
InChIKeyDTKADBHDLOHVOU-UHFFFAOYSA-N
XLogP4.22
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-1-yl]-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-1-yl]-2-(trifluoromethyl)pyrimidine (CID 11660709) is 5-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-1-yl]-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-1-yl]-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-1-yl]-2-(trifluoromethyl)pyrimidine is CC(C)N1CCC(CC2CCN(c3cnc(C(F)(F)F)nc3)CC2)CC1.
What is the InChIKey of 5-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-1-yl]-2-(trifluoromethyl)pyrimidine?
The InChIKey is DTKADBHDLOHVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29F3N4/c1-14(2)25-7-3-15(4-8-25)11-16-5-9-26(10-6-16)17-12-23-18(24-13-17)19(20,21)22/h12-16H,3-11H2,1-2H3.
What are the key properties of 5-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-1-yl]-2-(trifluoromethyl)pyrimidine?
5-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-1-yl]-2-(trifluoromethyl)pyrimidine has a molecular weight of 370.46 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-1-yl]-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 11660709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).