1-[1-[(2,4-dichloropyrimidin-5-yl)methyl]piperidin-4-yl]oxy-3-fluoropropan-2-ol

C13H18Cl2FN3O2 — CID 170969749

IUPAC1-[1-[(2,4-dichloropyrimidin-5-yl)methyl]piperidin-4-yl]oxy-3-fluoropropan-2-ol
SMILESOC(CF)COC1CCN(Cc2cnc(Cl)nc2Cl)CC1
InChIInChI=1S/C13H18Cl2FN3O2/c14-12-9(6-17-13(15)18-12)7-19-3-1-11(2-4-19)21-8-10(20)5-16/h6,10-11,20H,1-5,7-8H2
InChIKeyRBZMCOUQWQKPQD-UHFFFAOYSA-N
MW338.21 g/mol
LogP2.09
Rot. Bonds6

About 1-[1-[(2,4-dichloropyrimidin-5-yl)methyl]piperidin-4-yl]oxy-3-fluoropropan-2-ol

1-[1-[(2,4-dichloropyrimidin-5-yl)methyl]piperidin-4-yl]oxy-3-fluoropropan-2-ol (PubChem CID 170969749) has the molecular formula C13H18Cl2FN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is 1-[1-[(2,4-dichloropyrimidin-5-yl)methyl]piperidin-4-yl]oxy-3-fluoropropan-2-ol.

Molecular Properties

Compound Name1-[1-[(2,4-dichloropyrimidin-5-yl)methyl]piperidin-4-yl]oxy-3-fluoropropan-2-ol
PubChem CID170969749
Molecular FormulaC13H18Cl2FN3O2
Molecular Weight338.21 g/mol
Exact Mass337.08
IUPAC Name1-[1-[(2,4-dichloropyrimidin-5-yl)methyl]piperidin-4-yl]oxy-3-fluoropropan-2-ol
SMILESOC(CF)COC1CCN(Cc2cnc(Cl)nc2Cl)CC1
InChIInChI=1S/C13H18Cl2FN3O2/c14-12-9(6-17-13(15)18-12)7-19-3-1-11(2-4-19)21-8-10(20)5-16/h6,10-11,20H,1-5,7-8H2
InChIKeyRBZMCOUQWQKPQD-UHFFFAOYSA-N
XLogP2.09
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-[(2,4-dichloropyrimidin-5-yl)methyl]piperidin-4-yl]oxy-3-fluoropropan-2-ol 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

2,4-dichloro-5-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]pyrimidine
CID 118936843
1-[(2,4-dichloropyrimidin-5-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 71644389
2,4-dichloro-5-[(3-methoxypiperidin-1-yl)methyl]pyrimidine
CID 118943873
2,4-dichloro-5-(piperidin-4-yloxymethyl)pyrimidine
CID 71640390
tert-butyl N-[1-[(2,4-dichloropyrimidin-5-yl)methyl]pyrrolidin-3-yl]carbamate
CID 71632178
2,4-dichloro-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]pyrimidine
CID 118943869
4-[(2,4-dichloropyrimidin-5-yl)methyl]-2-methylmorpholine
CID 174210212
(2S)-4-[(2,4-dichloropyrimidin-5-yl)methyl]piperazine-2-carboxylic acid
CID 97169244
2-[1-(2,5-dichloropyrimidin-4-yl)piperidin-4-yl]oxyethanol
CID 82691197
2,4-dichloro-5-(2-fluoroethyl)pyrimidine
CID 83854274
2,4-dichloro-5-[(4-methoxypiperidin-1-yl)methyl]pyridine
CID 116518803
2,4-dichloro-5-(pyrrolidin-3-yloxymethyl)pyrimidine;hydrochloride
CID 71640385

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,4-dichloropyrimidin-5-yl)methyl]piperidin-4-yl]oxy-3-fluoropropan-2-ol?
The IUPAC name of 1-[1-[(2,4-dichloropyrimidin-5-yl)methyl]piperidin-4-yl]oxy-3-fluoropropan-2-ol (CID 170969749) is 1-[1-[(2,4-dichloropyrimidin-5-yl)methyl]piperidin-4-yl]oxy-3-fluoropropan-2-ol.
What is the SMILES notation for 1-[1-[(2,4-dichloropyrimidin-5-yl)methyl]piperidin-4-yl]oxy-3-fluoropropan-2-ol?
The canonical SMILES for 1-[1-[(2,4-dichloropyrimidin-5-yl)methyl]piperidin-4-yl]oxy-3-fluoropropan-2-ol is OC(CF)COC1CCN(Cc2cnc(Cl)nc2Cl)CC1.
What is the InChIKey of 1-[1-[(2,4-dichloropyrimidin-5-yl)methyl]piperidin-4-yl]oxy-3-fluoropropan-2-ol?
The InChIKey is RBZMCOUQWQKPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2FN3O2/c14-12-9(6-17-13(15)18-12)7-19-3-1-11(2-4-19)21-8-10(20)5-16/h6,10-11,20H,1-5,7-8H2.
What are the key properties of 1-[1-[(2,4-dichloropyrimidin-5-yl)methyl]piperidin-4-yl]oxy-3-fluoropropan-2-ol?
1-[1-[(2,4-dichloropyrimidin-5-yl)methyl]piperidin-4-yl]oxy-3-fluoropropan-2-ol has a molecular weight of 338.21 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,4-dichloropyrimidin-5-yl)methyl]piperidin-4-yl]oxy-3-fluoropropan-2-ol is sourced from PubChem (CID 170969749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).