4-[[4-(4-fluorophenoxy)pyrazol-1-yl]methyl]piperidine

C15H18FN3O — CID 115055512

IUPAC4-[[4-(4-fluorophenoxy)pyrazol-1-yl]methyl]piperidine
SMILESFc1ccc(Oc2cnn(CC3CCNCC3)c2)cc1
InChIInChI=1S/C15H18FN3O/c16-13-1-3-14(4-2-13)20-15-9-18-19(11-15)10-12-5-7-17-8-6-12/h1-4,9,11-12,17H,5-8,10H2
InChIKeyBDSFKHARQMZEMA-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.81
Rot. Bonds4

About 4-[[4-(4-fluorophenoxy)pyrazol-1-yl]methyl]piperidine

4-[[4-(4-fluorophenoxy)pyrazol-1-yl]methyl]piperidine (PubChem CID 115055512) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 4-[[4-(4-fluorophenoxy)pyrazol-1-yl]methyl]piperidine.

Molecular Properties

Compound Name4-[[4-(4-fluorophenoxy)pyrazol-1-yl]methyl]piperidine
PubChem CID115055512
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name4-[[4-(4-fluorophenoxy)pyrazol-1-yl]methyl]piperidine
SMILESFc1ccc(Oc2cnn(CC3CCNCC3)c2)cc1
InChIInChI=1S/C15H18FN3O/c16-13-1-3-14(4-2-13)20-15-9-18-19(11-15)10-12-5-7-17-8-6-12/h1-4,9,11-12,17H,5-8,10H2
InChIKeyBDSFKHARQMZEMA-UHFFFAOYSA-N
XLogP2.81
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(pyrrolidin-3-ylmethyl)-4-[4-(trifluoromethyl)phenoxy]pyrazole
CID 117125078
1-(cyclopropylmethyl)-4-(pyrrolidin-3-ylmethoxy)pyrazole
CID 164576587
1-(azetidin-3-ylmethyl)-4-ethoxypyrazole
CID 117125073
4-[1-(cyclohexylmethyl)pyrazol-4-yl]piperidine
CID 122240833
(3S)-3-[(4-methoxypyrazol-1-yl)methyl]piperidine
CID 165430584
4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]piperidine
CID 142458257
4-bromo-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrazole
CID 94408772
4-iodo-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrazole
CID 165429519
4-[[4-fluoro-2-(4-fluorophenoxy)phenyl]methyl]piperidine
CID 18669392
4-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]oxypiperidine;hydrochloride
CID 164576545
N-ethyl-1-(piperidin-4-ylmethyl)pyrazole-4-carboxamide
CID 170994982
1-tert-butyl-4-(4-fluorophenoxy)pyrazole
CID 117229577

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-fluorophenoxy)pyrazol-1-yl]methyl]piperidine?
The IUPAC name of 4-[[4-(4-fluorophenoxy)pyrazol-1-yl]methyl]piperidine (CID 115055512) is 4-[[4-(4-fluorophenoxy)pyrazol-1-yl]methyl]piperidine.
What is the SMILES notation for 4-[[4-(4-fluorophenoxy)pyrazol-1-yl]methyl]piperidine?
The canonical SMILES for 4-[[4-(4-fluorophenoxy)pyrazol-1-yl]methyl]piperidine is Fc1ccc(Oc2cnn(CC3CCNCC3)c2)cc1.
What is the InChIKey of 4-[[4-(4-fluorophenoxy)pyrazol-1-yl]methyl]piperidine?
The InChIKey is BDSFKHARQMZEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c16-13-1-3-14(4-2-13)20-15-9-18-19(11-15)10-12-5-7-17-8-6-12/h1-4,9,11-12,17H,5-8,10H2.
What are the key properties of 4-[[4-(4-fluorophenoxy)pyrazol-1-yl]methyl]piperidine?
4-[[4-(4-fluorophenoxy)pyrazol-1-yl]methyl]piperidine has a molecular weight of 275.33 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-fluorophenoxy)pyrazol-1-yl]methyl]piperidine is sourced from PubChem (CID 115055512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).