5-[[(2S,3S)-2-[(4-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methyl]-2-methylpyrimidine

C19H24FN3O — CID 175655340

IUPAC5-[[(2S,3S)-2-[(4-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methyl]-2-methylpyrimidine
SMILESCO[C@H]1CCCN(Cc2cnc(C)nc2)[C@H]1Cc1ccc(F)cc1
InChIInChI=1S/C19H24FN3O/c1-14-21-11-16(12-22-14)13-23-9-3-4-19(24-2)18(23)10-15-5-7-17(20)8-6-15/h5-8,11-12,18-19H,3-4,9-10,13H2,1-2H3/t18-,19-/m0/s1
InChIKeyMCTICCZPKRZEME-OALUTQOASA-N
MW329.42 g/mol
LogP3.15
Rot. Bonds5

About 5-[[(2S,3S)-2-[(4-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methyl]-2-methylpyrimidine

5-[[(2S,3S)-2-[(4-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methyl]-2-methylpyrimidine (PubChem CID 175655340) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is 5-[[(2S,3S)-2-[(4-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methyl]-2-methylpyrimidine.

Molecular Properties

Compound Name5-[[(2S,3S)-2-[(4-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methyl]-2-methylpyrimidine
PubChem CID175655340
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC Name5-[[(2S,3S)-2-[(4-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methyl]-2-methylpyrimidine
SMILESCO[C@H]1CCCN(Cc2cnc(C)nc2)[C@H]1Cc1ccc(F)cc1
InChIInChI=1S/C19H24FN3O/c1-14-21-11-16(12-22-14)13-23-9-3-4-19(24-2)18(23)10-15-5-7-17(20)8-6-15/h5-8,11-12,18-19H,3-4,9-10,13H2,1-2H3/t18-,19-/m0/s1
InChIKeyMCTICCZPKRZEME-OALUTQOASA-N
XLogP3.15
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2R,3R)-1-[(4-fluorophenyl)methyl]-3-(2-methoxyethoxy)pyrrolidin-2-yl]methyl]-1-methylpyrazole
CID 124821987
(2S,3S)-2-[(4-fluorophenyl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 155990745
5-fluoro-2-[(2R,3S)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine
CID 124815893
4-[[(2S,3S)-3-methoxy-1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]methyl]-1-methylpyrazole
CID 97470685
2-[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]pyrimidine
CID 124792317
(4S,5S)-5-(4-fluorophenoxy)-1-[(6-methyl-3-pyridinyl)methyl]azepan-4-ol
CID 110128684
4-[[(2S,3R)-3-methoxy-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]pyridine
CID 97470361
2-(4-fluorophenyl)-1-[(4-propoxyphenyl)methyl]pyrrolidine
CID 20895915
2-methoxy-5-[(2-methylpyrrolidin-1-yl)methyl]pyrimidine
CID 169307356
[3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidin-2-yl]methanamine
CID 113457157
N-[(2S,3S)-2-[(4-fluorophenyl)methyl]-1-[(1-methylimidazol-4-yl)methyl]piperidin-3-yl]acetamide
CID 155990618
N-[(2S,3S)-2-[(4-fluorophenyl)methyl]-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]acetamide
CID 155990599

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S,3S)-2-[(4-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methyl]-2-methylpyrimidine?
The IUPAC name of 5-[[(2S,3S)-2-[(4-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methyl]-2-methylpyrimidine (CID 175655340) is 5-[[(2S,3S)-2-[(4-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methyl]-2-methylpyrimidine.
What is the SMILES notation for 5-[[(2S,3S)-2-[(4-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methyl]-2-methylpyrimidine?
The canonical SMILES for 5-[[(2S,3S)-2-[(4-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methyl]-2-methylpyrimidine is CO[C@H]1CCCN(Cc2cnc(C)nc2)[C@H]1Cc1ccc(F)cc1.
What is the InChIKey of 5-[[(2S,3S)-2-[(4-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methyl]-2-methylpyrimidine?
The InChIKey is MCTICCZPKRZEME-OALUTQOASA-N. The full InChI is InChI=1S/C19H24FN3O/c1-14-21-11-16(12-22-14)13-23-9-3-4-19(24-2)18(23)10-15-5-7-17(20)8-6-15/h5-8,11-12,18-19H,3-4,9-10,13H2,1-2H3/t18-,19-/m0/s1.
What are the key properties of 5-[[(2S,3S)-2-[(4-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methyl]-2-methylpyrimidine?
5-[[(2S,3S)-2-[(4-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methyl]-2-methylpyrimidine has a molecular weight of 329.42 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S,3S)-2-[(4-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methyl]-2-methylpyrimidine is sourced from PubChem (CID 175655340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).