4-(3-fluorophenyl)-6-methyl-2-[(3S)-piperidin-3-yl]pyrimidine

C16H18FN3 — CID 124746275

IUPAC4-(3-fluorophenyl)-6-methyl-2-[(3S)-piperidin-3-yl]pyrimidine
SMILESCc1cc(-c2cccc(F)c2)nc([C@H]2CCCNC2)n1
InChIInChI=1S/C16H18FN3/c1-11-8-15(12-4-2-6-14(17)9-12)20-16(19-11)13-5-3-7-18-10-13/h2,4,6,8-9,13,18H,3,5,7,10H2,1H3/t13-/m0/s1
InChIKeyKXJVFBQDDGBNEW-ZDUSSCGKSA-N
MW271.34 g/mol
LogP3.06
Rot. Bonds2

About 4-(3-fluorophenyl)-6-methyl-2-[(3S)-piperidin-3-yl]pyrimidine

4-(3-fluorophenyl)-6-methyl-2-[(3S)-piperidin-3-yl]pyrimidine (PubChem CID 124746275) has the molecular formula C16H18FN3 and a molecular weight of 271.34 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-6-methyl-2-[(3S)-piperidin-3-yl]pyrimidine.

Molecular Properties

Compound Name4-(3-fluorophenyl)-6-methyl-2-[(3S)-piperidin-3-yl]pyrimidine
PubChem CID124746275
Molecular FormulaC16H18FN3
Molecular Weight271.34 g/mol
Exact Mass271.15
IUPAC Name4-(3-fluorophenyl)-6-methyl-2-[(3S)-piperidin-3-yl]pyrimidine
SMILESCc1cc(-c2cccc(F)c2)nc([C@H]2CCCNC2)n1
InChIInChI=1S/C16H18FN3/c1-11-8-15(12-4-2-6-14(17)9-12)20-16(19-11)13-5-3-7-18-10-13/h2,4,6,8-9,13,18H,3,5,7,10H2,1H3/t13-/m0/s1
InChIKeyKXJVFBQDDGBNEW-ZDUSSCGKSA-N
XLogP3.06
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dimethyl-2-piperidin-3-ylpyrimidine
CID 63317441
4,6-dimethyl-2-piperidin-3-ylpyrimidine;dihydrochloride
CID 71299007
4-cyclopentyl-6-methyl-2-piperidin-3-ylpyrimidine
CID 55203946
4-(5-bromothiophen-2-yl)-6-methyl-2-piperidin-3-ylpyrimidine
CID 116893430
4-(3-fluorophenyl)-2-pyrrolidin-3-yl-1,3-thiazole
CID 116965376
(3S)-3-(3-fluorophenyl)piperidine;hydrochloride
CID 45074276
2-cyclopropyl-6-(3-fluorophenyl)-N-methylpyrimidin-4-amine
CID 80952396
N-(4-methylphenyl)-6-phenyl-2-piperidin-3-ylpyrimidin-4-amine
CID 156544080
6-methyl-2-[(3S)-piperidin-3-yl]-N-pyrimidin-2-ylpyrimidin-4-amine
CID 125027098
4-(3-fluorophenyl)-2-pyrrolidin-3-yl-1,3-oxazole
CID 105490713
4-(3-fluorophenyl)-5-piperidin-3-yl-1,2-oxazole
CID 115003798
4-(3-methylphenyl)-2-piperidin-3-yl-1,3-thiazole
CID 62540732

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-6-methyl-2-[(3S)-piperidin-3-yl]pyrimidine?
The IUPAC name of 4-(3-fluorophenyl)-6-methyl-2-[(3S)-piperidin-3-yl]pyrimidine (CID 124746275) is 4-(3-fluorophenyl)-6-methyl-2-[(3S)-piperidin-3-yl]pyrimidine.
What is the SMILES notation for 4-(3-fluorophenyl)-6-methyl-2-[(3S)-piperidin-3-yl]pyrimidine?
The canonical SMILES for 4-(3-fluorophenyl)-6-methyl-2-[(3S)-piperidin-3-yl]pyrimidine is Cc1cc(-c2cccc(F)c2)nc([C@H]2CCCNC2)n1.
What is the InChIKey of 4-(3-fluorophenyl)-6-methyl-2-[(3S)-piperidin-3-yl]pyrimidine?
The InChIKey is KXJVFBQDDGBNEW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18FN3/c1-11-8-15(12-4-2-6-14(17)9-12)20-16(19-11)13-5-3-7-18-10-13/h2,4,6,8-9,13,18H,3,5,7,10H2,1H3/t13-/m0/s1.
What are the key properties of 4-(3-fluorophenyl)-6-methyl-2-[(3S)-piperidin-3-yl]pyrimidine?
4-(3-fluorophenyl)-6-methyl-2-[(3S)-piperidin-3-yl]pyrimidine has a molecular weight of 271.34 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-6-methyl-2-[(3S)-piperidin-3-yl]pyrimidine is sourced from PubChem (CID 124746275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).