1-[6-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-3-pyridinyl]-2,4-dimethyl-2H-pyrimidine

C23H27FN4 — CID 150642409

IUPAC1-[6-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-3-pyridinyl]-2,4-dimethyl-2H-pyrimidine
SMILESCC1=NC(C)N(c2ccc(N3CCC(Cc4cccc(F)c4)CC3)nc2)C=C1
InChIInChI=1S/C23H27FN4/c1-17-8-13-28(18(2)26-17)22-6-7-23(25-16-22)27-11-9-19(10-12-27)14-20-4-3-5-21(24)15-20/h3-8,13,15-16,18-19H,9-12,14H2,1-2H3
InChIKeyJAEPCGGDODYRTJ-UHFFFAOYSA-N
MW378.50 g/mol
LogP4.82
Rot. Bonds4

About 1-[6-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-3-pyridinyl]-2,4-dimethyl-2H-pyrimidine

1-[6-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-3-pyridinyl]-2,4-dimethyl-2H-pyrimidine (PubChem CID 150642409) has the molecular formula C23H27FN4 and a molecular weight of 378.50 g/mol. Its IUPAC name is 1-[6-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-3-pyridinyl]-2,4-dimethyl-2H-pyrimidine.

Molecular Properties

Compound Name1-[6-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-3-pyridinyl]-2,4-dimethyl-2H-pyrimidine
PubChem CID150642409
Molecular FormulaC23H27FN4
Molecular Weight378.50 g/mol
Exact Mass378.22
IUPAC Name1-[6-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-3-pyridinyl]-2,4-dimethyl-2H-pyrimidine
SMILESCC1=NC(C)N(c2ccc(N3CCC(Cc4cccc(F)c4)CC3)nc2)C=C1
InChIInChI=1S/C23H27FN4/c1-17-8-13-28(18(2)26-17)22-6-7-23(25-16-22)27-11-9-19(10-12-27)14-20-4-3-5-21(24)15-20/h3-8,13,15-16,18-19H,9-12,14H2,1-2H3
InChIKeyJAEPCGGDODYRTJ-UHFFFAOYSA-N
XLogP4.82
TPSA31.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-chloro-4-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]phenyl]-2,4-dimethyl-2H-pyrimidine
CID 151399914
ethane;4-[(3-fluorophenyl)methyl]-1-methylpiperidine
CID 163281895
N-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-3-fluorobenzamide
CID 113015460
3-fluoro-4-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]aniline
CID 118164758
2-[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 119181763
[4-[(3-fluorophenyl)methyl]cyclohexyl]methanamine
CID 90782527
2-(4-benzylpiperidin-1-yl)-5-(chloromethyl)pyridine
CID 61255545
1-[3-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propyl]-4-methylpiperazine
CID 75518320
4-[(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 116926377
2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1,3-benzothiazole
CID 174498305
2-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-5-methylpyrimidine
CID 133480545
1-[(3-fluorophenyl)methyl]-1-methyl-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]urea
CID 87004078

Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-3-pyridinyl]-2,4-dimethyl-2H-pyrimidine?
The IUPAC name of 1-[6-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-3-pyridinyl]-2,4-dimethyl-2H-pyrimidine (CID 150642409) is 1-[6-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-3-pyridinyl]-2,4-dimethyl-2H-pyrimidine.
What is the SMILES notation for 1-[6-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-3-pyridinyl]-2,4-dimethyl-2H-pyrimidine?
The canonical SMILES for 1-[6-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-3-pyridinyl]-2,4-dimethyl-2H-pyrimidine is CC1=NC(C)N(c2ccc(N3CCC(Cc4cccc(F)c4)CC3)nc2)C=C1.
What is the InChIKey of 1-[6-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-3-pyridinyl]-2,4-dimethyl-2H-pyrimidine?
The InChIKey is JAEPCGGDODYRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4/c1-17-8-13-28(18(2)26-17)22-6-7-23(25-16-22)27-11-9-19(10-12-27)14-20-4-3-5-21(24)15-20/h3-8,13,15-16,18-19H,9-12,14H2,1-2H3.
What are the key properties of 1-[6-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-3-pyridinyl]-2,4-dimethyl-2H-pyrimidine?
1-[6-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-3-pyridinyl]-2,4-dimethyl-2H-pyrimidine has a molecular weight of 378.50 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-3-pyridinyl]-2,4-dimethyl-2H-pyrimidine is sourced from PubChem (CID 150642409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).