1-[3-(4-fluorophenoxy)propyl]-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine

C15H18FN5O — CID 82365300

IUPAC1-[3-(4-fluorophenoxy)propyl]-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine
SMILESFc1ccc(OCCCN2CCC=C(c3nn[nH]n3)C2)cc1
InChIInChI=1S/C15H18FN5O/c16-13-4-6-14(7-5-13)22-10-2-9-21-8-1-3-12(11-21)15-17-19-20-18-15/h3-7H,1-2,8-11H2,(H,17,18,19,20)
InChIKeyOMMIKVJJRPWEMX-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.90
Rot. Bonds6

About 1-[3-(4-fluorophenoxy)propyl]-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine

1-[3-(4-fluorophenoxy)propyl]-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine (PubChem CID 82365300) has the molecular formula C15H18FN5O and a molecular weight of 303.34 g/mol. Its IUPAC name is 1-[3-(4-fluorophenoxy)propyl]-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[3-(4-fluorophenoxy)propyl]-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine
PubChem CID82365300
Molecular FormulaC15H18FN5O
Molecular Weight303.34 g/mol
Exact Mass303.15
IUPAC Name1-[3-(4-fluorophenoxy)propyl]-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine
SMILESFc1ccc(OCCCN2CCC=C(c3nn[nH]n3)C2)cc1
InChIInChI=1S/C15H18FN5O/c16-13-4-6-14(7-5-13)22-10-2-9-21-8-1-3-12(11-21)15-17-19-20-18-15/h3-7H,1-2,8-11H2,(H,17,18,19,20)
InChIKeyOMMIKVJJRPWEMX-UHFFFAOYSA-N
XLogP1.90
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(4-ethylphenoxy)propyl]-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine
CID 95996756
1-[3-(2-methoxyphenoxy)propyl]-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine
CID 95996770
1-pentyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine
CID 82365240
1-nonyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine
CID 82365279
1-(2-piperidin-1-ylethyl)-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine
CID 82365280
3-[3-(4-fluorophenoxy)propyl]-2,4-dihydroimidazole
CID 57285802
1-(4-methylphenyl)-2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 82365269
5-[3-(4-fluorophenoxy)propyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine
CID 10924201
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]methanamine
CID 22390813
1-[3-(4-fluorophenoxy)propyl]azepane;oxalic acid
CID 2944017
1-[3-(4-fluorophenoxy)propyl]-4-[(4-fluorophenyl)methyl]piperidine
CID 10831375
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 14968317

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenoxy)propyl]-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[3-(4-fluorophenoxy)propyl]-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine (CID 82365300) is 1-[3-(4-fluorophenoxy)propyl]-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[3-(4-fluorophenoxy)propyl]-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[3-(4-fluorophenoxy)propyl]-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine is Fc1ccc(OCCCN2CCC=C(c3nn[nH]n3)C2)cc1.
What is the InChIKey of 1-[3-(4-fluorophenoxy)propyl]-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is OMMIKVJJRPWEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O/c16-13-4-6-14(7-5-13)22-10-2-9-21-8-1-3-12(11-21)15-17-19-20-18-15/h3-7H,1-2,8-11H2,(H,17,18,19,20).
What are the key properties of 1-[3-(4-fluorophenoxy)propyl]-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine?
1-[3-(4-fluorophenoxy)propyl]-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 303.34 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenoxy)propyl]-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 82365300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).