(3S)-3-[3-(3-fluorophenoxy)-1H-pyrazol-5-yl]piperidine

C14H16FN3O — CID 141269864

IUPAC(3S)-3-[3-(3-fluorophenoxy)-1H-pyrazol-5-yl]piperidine
SMILESFc1cccc(Oc2cc([C@H]3CCCNC3)[nH]n2)c1
InChIInChI=1S/C14H16FN3O/c15-11-4-1-5-12(7-11)19-14-8-13(17-18-14)10-3-2-6-16-9-10/h1,4-5,7-8,10,16H,2-3,6,9H2,(H,17,18)/t10-/m0/s1
InChIKeyXMDPUZMFEVUZFO-JTQLQIEISA-N
MW261.30 g/mol
LogP2.81
Rot. Bonds3

About (3S)-3-[3-(3-fluorophenoxy)-1H-pyrazol-5-yl]piperidine

(3S)-3-[3-(3-fluorophenoxy)-1H-pyrazol-5-yl]piperidine (PubChem CID 141269864) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is (3S)-3-[3-(3-fluorophenoxy)-1H-pyrazol-5-yl]piperidine.

Molecular Properties

Compound Name(3S)-3-[3-(3-fluorophenoxy)-1H-pyrazol-5-yl]piperidine
PubChem CID141269864
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name(3S)-3-[3-(3-fluorophenoxy)-1H-pyrazol-5-yl]piperidine
SMILESFc1cccc(Oc2cc([C@H]3CCCNC3)[nH]n2)c1
InChIInChI=1S/C14H16FN3O/c15-11-4-1-5-12(7-11)19-14-8-13(17-18-14)10-3-2-6-16-9-10/h1,4-5,7-8,10,16H,2-3,6,9H2,(H,17,18)/t10-/m0/s1
InChIKeyXMDPUZMFEVUZFO-JTQLQIEISA-N
XLogP2.81
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-(4-Methoxyphenyl)-1H-pyrazol-3-yl)piperidine
CID 1486801
N,N-dimethyl-3-[(5-phenyl-1H-pyrazol-3-yl)oxy]propan-1-amine
CID 3070785
3-[(5-benzyl-1H-pyrazol-3-yl)oxy]-N,N-dimethylpropan-1-amine
CID 10563240
3-(Benzyloxy)-1,4,5,6,7,8-hexahydropyrazolo[4,3-d]azepine
CID 45484742
Morpholine, 4-(2-((5-phenyl-1H-pyrazol-3-yl)oxy)ethyl)-
CID 3070779
4-{5-[4-(benzyloxy)phenyl]-1H-pyrazol-3-yl}piperidine
CID 13795334
1-methyl-3-[(5-phenyl-1H-pyrazol-3-yl)oxymethyl]piperidine
CID 9903569
N,N-diethyl-3-[(5-phenyl-1H-pyrazol-3-yl)oxy]propan-1-amine
CID 10659874
4-[3-(4-phenoxyphenyl)-1H-pyrazol-5-yl]piperidine
CID 11301624
5-[2-(2-fluorophenoxy)ethyl]-3-pyrrolidin-3-yl-1H-pyrazole
CID 110263712
2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholine
CID 118741881
4-{5-[4-(2-phenoxyethoxy)phenyl]-1H-pyrazol-3-yl}piperidine
CID 13483224

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[3-(3-fluorophenoxy)-1H-pyrazol-5-yl]piperidine?
The IUPAC name of (3S)-3-[3-(3-fluorophenoxy)-1H-pyrazol-5-yl]piperidine (CID 141269864) is (3S)-3-[3-(3-fluorophenoxy)-1H-pyrazol-5-yl]piperidine.
What is the SMILES notation for (3S)-3-[3-(3-fluorophenoxy)-1H-pyrazol-5-yl]piperidine?
The canonical SMILES for (3S)-3-[3-(3-fluorophenoxy)-1H-pyrazol-5-yl]piperidine is Fc1cccc(Oc2cc([C@H]3CCCNC3)[nH]n2)c1.
What is the InChIKey of (3S)-3-[3-(3-fluorophenoxy)-1H-pyrazol-5-yl]piperidine?
The InChIKey is XMDPUZMFEVUZFO-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16FN3O/c15-11-4-1-5-12(7-11)19-14-8-13(17-18-14)10-3-2-6-16-9-10/h1,4-5,7-8,10,16H,2-3,6,9H2,(H,17,18)/t10-/m0/s1.
What are the key properties of (3S)-3-[3-(3-fluorophenoxy)-1H-pyrazol-5-yl]piperidine?
(3S)-3-[3-(3-fluorophenoxy)-1H-pyrazol-5-yl]piperidine has a molecular weight of 261.30 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[3-(3-fluorophenoxy)-1H-pyrazol-5-yl]piperidine is sourced from PubChem (CID 141269864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).