4-methoxy-N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidin-2-amine

C19H23F3N4O — CID 171998706

IUPAC4-methoxy-N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidin-2-amine
SMILESCOc1ccnc(N(C)C2CCCN(Cc3ccc(C(F)(F)F)cc3)C2)n1
InChIInChI=1S/C19H23F3N4O/c1-25(18-23-10-9-17(24-18)27-2)16-4-3-11-26(13-16)12-14-5-7-15(8-6-14)19(20,21)22/h5-10,16H,3-4,11-13H2,1-2H3
InChIKeySLQIFVALMPAXTK-UHFFFAOYSA-N
MW380.41 g/mol
LogP3.60
Rot. Bonds5

About 4-methoxy-N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidin-2-amine

4-methoxy-N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidin-2-amine (PubChem CID 171998706) has the molecular formula C19H23F3N4O and a molecular weight of 380.41 g/mol. Its IUPAC name is 4-methoxy-N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidin-2-amine
PubChem CID171998706
Molecular FormulaC19H23F3N4O
Molecular Weight380.41 g/mol
Exact Mass380.18
IUPAC Name4-methoxy-N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidin-2-amine
SMILESCOc1ccnc(N(C)C2CCCN(Cc3ccc(C(F)(F)F)cc3)C2)n1
InChIInChI=1S/C19H23F3N4O/c1-25(18-23-10-9-17(24-18)27-2)16-4-3-11-26(13-16)12-14-5-7-15(8-6-14)19(20,21)22/h5-10,16H,3-4,11-13H2,1-2H3
InChIKeySLQIFVALMPAXTK-UHFFFAOYSA-N
XLogP3.60
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidin-2-amine (CID 171998706) is 4-methoxy-N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidin-2-amine is COc1ccnc(N(C)C2CCCN(Cc3ccc(C(F)(F)F)cc3)C2)n1.
What is the InChIKey of 4-methoxy-N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidin-2-amine?
The InChIKey is SLQIFVALMPAXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O/c1-25(18-23-10-9-17(24-18)27-2)16-4-3-11-26(13-16)12-14-5-7-15(8-6-14)19(20,21)22/h5-10,16H,3-4,11-13H2,1-2H3.
What are the key properties of 4-methoxy-N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidin-2-amine?
4-methoxy-N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidin-2-amine has a molecular weight of 380.41 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 171998706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).