2-chloro-4-[(2,2-difluorocyclopropyl)methoxy]-6-piperidin-1-yl-1,3,5-triazine

C12H15ClF2N4O — CID 150803491

IUPAC2-chloro-4-[(2,2-difluorocyclopropyl)methoxy]-6-piperidin-1-yl-1,3,5-triazine
SMILESFC1(F)CC1COc1nc(Cl)nc(N2CCCCC2)n1
InChIInChI=1S/C12H15ClF2N4O/c13-9-16-10(19-4-2-1-3-5-19)18-11(17-9)20-7-8-6-12(8,14)15/h8H,1-7H2
InChIKeyKGJITSMLOYWIOW-UHFFFAOYSA-N
MW304.73 g/mol
LogP2.55
Rot. Bonds4

About 2-chloro-4-[(2,2-difluorocyclopropyl)methoxy]-6-piperidin-1-yl-1,3,5-triazine

2-chloro-4-[(2,2-difluorocyclopropyl)methoxy]-6-piperidin-1-yl-1,3,5-triazine (PubChem CID 150803491) has the molecular formula C12H15ClF2N4O and a molecular weight of 304.73 g/mol. Its IUPAC name is 2-chloro-4-[(2,2-difluorocyclopropyl)methoxy]-6-piperidin-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-[(2,2-difluorocyclopropyl)methoxy]-6-piperidin-1-yl-1,3,5-triazine
PubChem CID150803491
Molecular FormulaC12H15ClF2N4O
Molecular Weight304.73 g/mol
Exact Mass304.09
IUPAC Name2-chloro-4-[(2,2-difluorocyclopropyl)methoxy]-6-piperidin-1-yl-1,3,5-triazine
SMILESFC1(F)CC1COc1nc(Cl)nc(N2CCCCC2)n1
InChIInChI=1S/C12H15ClF2N4O/c13-9-16-10(19-4-2-1-3-5-19)18-11(17-9)20-7-8-6-12(8,14)15/h8H,1-7H2
InChIKeyKGJITSMLOYWIOW-UHFFFAOYSA-N
XLogP2.55
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-chloro-4-[(2,2-difluorocyclopropyl)methoxy]-6-piperidin-1-yl-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Piperidin-1-yl)-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 1116172
1-[1-[[4-chloro-6-(3-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]oxymethyl]-2,2-difluorocyclopropyl]-N,N-dimethylmethanamine;ethane
CID 172328512
2-Chloro-4-ethoxy-6-(piperidin-1-yl)-1,3,5-triazine
CID 706525
4-(Piperidin-1-yl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 4020498
2-Chloro-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 62868246
2-Chloro-4-propan-2-yloxy-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazine
CID 65530048
2-Chloro-4-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazine
CID 65530822
2-Chloro-4-propoxy-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazine
CID 65531011
2-Chloro-4-methoxy-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazine
CID 65531013
2-Chloro-4-ethoxy-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazine
CID 65531016
2-Chloro-4-ethoxy-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazine
CID 65531208
2-Chloro-4-propoxy-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazine
CID 65532371

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(2,2-difluorocyclopropyl)methoxy]-6-piperidin-1-yl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-[(2,2-difluorocyclopropyl)methoxy]-6-piperidin-1-yl-1,3,5-triazine (CID 150803491) is 2-chloro-4-[(2,2-difluorocyclopropyl)methoxy]-6-piperidin-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-[(2,2-difluorocyclopropyl)methoxy]-6-piperidin-1-yl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-[(2,2-difluorocyclopropyl)methoxy]-6-piperidin-1-yl-1,3,5-triazine is FC1(F)CC1COc1nc(Cl)nc(N2CCCCC2)n1.
What is the InChIKey of 2-chloro-4-[(2,2-difluorocyclopropyl)methoxy]-6-piperidin-1-yl-1,3,5-triazine?
The InChIKey is KGJITSMLOYWIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF2N4O/c13-9-16-10(19-4-2-1-3-5-19)18-11(17-9)20-7-8-6-12(8,14)15/h8H,1-7H2.
What are the key properties of 2-chloro-4-[(2,2-difluorocyclopropyl)methoxy]-6-piperidin-1-yl-1,3,5-triazine?
2-chloro-4-[(2,2-difluorocyclopropyl)methoxy]-6-piperidin-1-yl-1,3,5-triazine has a molecular weight of 304.73 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(2,2-difluorocyclopropyl)methoxy]-6-piperidin-1-yl-1,3,5-triazine is sourced from PubChem (CID 150803491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).