4-[(3S)-3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2,6-dimethylpyrimidine

C23H25FN4 — CID 125007611

IUPAC4-[(3S)-3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2,6-dimethylpyrimidine
SMILESCc1cc(N2CCC[C@H](c3ccc(Cc4ccc(F)cc4)cn3)C2)nc(C)n1
InChIInChI=1S/C23H25FN4/c1-16-12-23(27-17(2)26-16)28-11-3-4-20(15-28)22-10-7-19(14-25-22)13-18-5-8-21(24)9-6-18/h5-10,12,14,20H,3-4,11,13,15H2,1-2H3/t20-/m0/s1
InChIKeyUOXSTLSBZVWHJW-FQEVSTJZSA-N
MW376.48 g/mol
LogP4.60
Rot. Bonds4

About 4-[(3S)-3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2,6-dimethylpyrimidine

4-[(3S)-3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2,6-dimethylpyrimidine (PubChem CID 125007611) has the molecular formula C23H25FN4 and a molecular weight of 376.48 g/mol. Its IUPAC name is 4-[(3S)-3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2,6-dimethylpyrimidine.

Molecular Properties

Compound Name4-[(3S)-3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2,6-dimethylpyrimidine
PubChem CID125007611
Molecular FormulaC23H25FN4
Molecular Weight376.48 g/mol
Exact Mass376.21
IUPAC Name4-[(3S)-3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2,6-dimethylpyrimidine
SMILESCc1cc(N2CCC[C@H](c3ccc(Cc4ccc(F)cc4)cn3)C2)nc(C)n1
InChIInChI=1S/C23H25FN4/c1-16-12-23(27-17(2)26-16)28-11-3-4-20(15-28)22-10-7-19(14-25-22)13-18-5-8-21(24)9-6-18/h5-10,12,14,20H,3-4,11,13,15H2,1-2H3/t20-/m0/s1
InChIKeyUOXSTLSBZVWHJW-FQEVSTJZSA-N
XLogP4.60
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2,6-dimethylpyrimidine?
The IUPAC name of 4-[(3S)-3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2,6-dimethylpyrimidine (CID 125007611) is 4-[(3S)-3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2,6-dimethylpyrimidine.
What is the SMILES notation for 4-[(3S)-3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2,6-dimethylpyrimidine?
The canonical SMILES for 4-[(3S)-3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2,6-dimethylpyrimidine is Cc1cc(N2CCC[C@H](c3ccc(Cc4ccc(F)cc4)cn3)C2)nc(C)n1.
What is the InChIKey of 4-[(3S)-3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2,6-dimethylpyrimidine?
The InChIKey is UOXSTLSBZVWHJW-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H25FN4/c1-16-12-23(27-17(2)26-16)28-11-3-4-20(15-28)22-10-7-19(14-25-22)13-18-5-8-21(24)9-6-18/h5-10,12,14,20H,3-4,11,13,15H2,1-2H3/t20-/m0/s1.
What are the key properties of 4-[(3S)-3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2,6-dimethylpyrimidine?
4-[(3S)-3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2,6-dimethylpyrimidine has a molecular weight of 376.48 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2,6-dimethylpyrimidine is sourced from PubChem (CID 125007611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).