4-[1-[3-(2-fluorophenoxy)propyl]piperidin-3-yl]pyrimidine

C18H22FN3O — CID 110114943

IUPAC4-[1-[3-(2-fluorophenoxy)propyl]piperidin-3-yl]pyrimidine
SMILESFc1ccccc1OCCCN1CCCC(c2ccncn2)C1
InChIInChI=1S/C18H22FN3O/c19-16-6-1-2-7-18(16)23-12-4-11-22-10-3-5-15(13-22)17-8-9-20-14-21-17/h1-2,6-9,14-15H,3-5,10-13H2
InChIKeyDAQUGXPOHJYQPC-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.26
Rot. Bonds6

About 4-[1-[3-(2-fluorophenoxy)propyl]piperidin-3-yl]pyrimidine

4-[1-[3-(2-fluorophenoxy)propyl]piperidin-3-yl]pyrimidine (PubChem CID 110114943) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is 4-[1-[3-(2-fluorophenoxy)propyl]piperidin-3-yl]pyrimidine.

Molecular Properties

Compound Name4-[1-[3-(2-fluorophenoxy)propyl]piperidin-3-yl]pyrimidine
PubChem CID110114943
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC Name4-[1-[3-(2-fluorophenoxy)propyl]piperidin-3-yl]pyrimidine
SMILESFc1ccccc1OCCCN1CCCC(c2ccncn2)C1
InChIInChI=1S/C18H22FN3O/c19-16-6-1-2-7-18(16)23-12-4-11-22-10-3-5-15(13-22)17-8-9-20-14-21-17/h1-2,6-9,14-15H,3-5,10-13H2
InChIKeyDAQUGXPOHJYQPC-UHFFFAOYSA-N
XLogP3.26
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrimidine
CID 110096175
(3S)-1-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]-3-methylpiperidine
CID 2182375
4-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]pyrimidine
CID 74242201
[2-(2-aminoethoxy)-5-fluorophenyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 126431930
[1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 124991616
(2R)-4-[3-(2-fluorophenoxy)propyl]-2-(2-methylpyrimidin-4-yl)morpholine
CID 124965856
(3S)-N-[4-(azepan-1-yl)butyl]-3-pyrimidin-4-ylpiperidine-1-carboxamide
CID 126437475
4-phenoxy-1-(3-pyrimidin-4-ylpiperidin-1-yl)butan-1-one
CID 90651078
1-[4-(2-fluorophenoxy)butyl]azepane;oxalic acid
CID 2943940
4-[(3R)-1-(oxan-4-ylmethyl)piperidin-3-yl]pyrimidine
CID 124946485
4-[(3R)-1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]pyrimidine
CID 98323673
4-[1-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]piperidin-3-yl]pyrimidine
CID 77079143

Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-(2-fluorophenoxy)propyl]piperidin-3-yl]pyrimidine?
The IUPAC name of 4-[1-[3-(2-fluorophenoxy)propyl]piperidin-3-yl]pyrimidine (CID 110114943) is 4-[1-[3-(2-fluorophenoxy)propyl]piperidin-3-yl]pyrimidine.
What is the SMILES notation for 4-[1-[3-(2-fluorophenoxy)propyl]piperidin-3-yl]pyrimidine?
The canonical SMILES for 4-[1-[3-(2-fluorophenoxy)propyl]piperidin-3-yl]pyrimidine is Fc1ccccc1OCCCN1CCCC(c2ccncn2)C1.
What is the InChIKey of 4-[1-[3-(2-fluorophenoxy)propyl]piperidin-3-yl]pyrimidine?
The InChIKey is DAQUGXPOHJYQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c19-16-6-1-2-7-18(16)23-12-4-11-22-10-3-5-15(13-22)17-8-9-20-14-21-17/h1-2,6-9,14-15H,3-5,10-13H2.
What are the key properties of 4-[1-[3-(2-fluorophenoxy)propyl]piperidin-3-yl]pyrimidine?
4-[1-[3-(2-fluorophenoxy)propyl]piperidin-3-yl]pyrimidine has a molecular weight of 315.39 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-(2-fluorophenoxy)propyl]piperidin-3-yl]pyrimidine is sourced from PubChem (CID 110114943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).