4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrimidine

C16H18FN3 — CID 110096175

IUPAC4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrimidine
SMILESFc1ccccc1CN1CCCC(c2ccncn2)C1
InChIInChI=1S/C16H18FN3/c17-15-6-2-1-4-13(15)10-20-9-3-5-14(11-20)16-7-8-18-12-19-16/h1-2,4,6-8,12,14H,3,5,9-11H2
InChIKeyFUXZLGCYLHVNNU-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.00
Rot. Bonds3

About 4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrimidine

4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrimidine (PubChem CID 110096175) has the molecular formula C16H18FN3 and a molecular weight of 271.34 g/mol. Its IUPAC name is 4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrimidine.

Molecular Properties

Compound Name4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrimidine
PubChem CID110096175
Molecular FormulaC16H18FN3
Molecular Weight271.34 g/mol
Exact Mass271.15
IUPAC Name4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrimidine
SMILESFc1ccccc1CN1CCCC(c2ccncn2)C1
InChIInChI=1S/C16H18FN3/c17-15-6-2-1-4-13(15)10-20-9-3-5-14(11-20)16-7-8-18-12-19-16/h1-2,4,6-8,12,14H,3,5,9-11H2
InChIKeyFUXZLGCYLHVNNU-UHFFFAOYSA-N
XLogP3.00
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[3-(2-fluorophenoxy)propyl]piperidin-3-yl]pyrimidine
CID 110114943
4-[(3S)-1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]pyrimidine
CID 124976907
4-[(3R)-1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]pyrimidine
CID 98323673
4-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]pyrimidine
CID 74242201
2-pyridin-2-yl-5-[[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine
CID 99930503
4-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]pyrimidine
CID 124961155
5-[[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]-1,3-thiazole
CID 124980487
2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 95849716
2-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 110243014
2-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 136881151
[1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 124991616
4-[(3R)-1-[(4-methylsulfonylphenyl)methyl]piperidin-3-yl]pyrimidine
CID 124984221

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrimidine?
The IUPAC name of 4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrimidine (CID 110096175) is 4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrimidine.
What is the SMILES notation for 4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrimidine?
The canonical SMILES for 4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrimidine is Fc1ccccc1CN1CCCC(c2ccncn2)C1.
What is the InChIKey of 4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrimidine?
The InChIKey is FUXZLGCYLHVNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3/c17-15-6-2-1-4-13(15)10-20-9-3-5-14(11-20)16-7-8-18-12-19-16/h1-2,4,6-8,12,14H,3,5,9-11H2.
What are the key properties of 4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrimidine?
4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrimidine has a molecular weight of 271.34 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrimidine is sourced from PubChem (CID 110096175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).