(3S)-3-[3-(3-fluorophenoxy)imidazol-4-yl]piperidine

C14H16FN3O — CID 174557341

IUPAC(3S)-3-[3-(3-fluorophenoxy)imidazol-4-yl]piperidine
SMILESFc1cccc(On2cncc2[C@H]2CCCNC2)c1
InChIInChI=1S/C14H16FN3O/c15-12-4-1-5-13(7-12)19-18-10-17-9-14(18)11-3-2-6-16-8-11/h1,4-5,7,9-11,16H,2-3,6,8H2/t11-/m0/s1
InChIKeyLJUIRHVAYUDHDW-NSHDSACASA-N
MW261.30 g/mol
LogP2.33
Rot. Bonds3

About (3S)-3-[3-(3-fluorophenoxy)imidazol-4-yl]piperidine

(3S)-3-[3-(3-fluorophenoxy)imidazol-4-yl]piperidine (PubChem CID 174557341) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is (3S)-3-[3-(3-fluorophenoxy)imidazol-4-yl]piperidine.

Molecular Properties

Compound Name(3S)-3-[3-(3-fluorophenoxy)imidazol-4-yl]piperidine
PubChem CID174557341
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name(3S)-3-[3-(3-fluorophenoxy)imidazol-4-yl]piperidine
SMILESFc1cccc(On2cncc2[C@H]2CCCNC2)c1
InChIInChI=1S/C14H16FN3O/c15-12-4-1-5-13(7-12)19-18-10-17-9-14(18)11-3-2-6-16-8-11/h1,4-5,7,9-11,16H,2-3,6,8H2/t11-/m0/s1
InChIKeyLJUIRHVAYUDHDW-NSHDSACASA-N
XLogP2.33
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-Ethyl-2-(4-fluorophenoxy)imidazol-4-yl]-2-methylpropan-1-amine
CID 57782365
1-(3-Fluoro-5-methylphenoxy)-4-methylimidazole
CID 71025406
N-2-(4-hydroxyphenyl)ethylhistamine
CID 129715236
3-[3-(3-Fluoro-4-methoxyphenyl)imidazol-4-yl]piperidine
CID 114702599
2-[2-(1H-imidazol-5-yl)ethyliminomethyl]phenolate
CID 102155377
4-[3-[2-(4-Methoxyphenyl)ethyl]imidazol-4-yl]piperidine
CID 114702892
3-[3-[2-(4-Methoxyphenyl)ethyl]imidazol-4-yl]piperidine
CID 114702894
4-[2-(5-Piperidin-2-ylimidazol-1-yl)ethyl]phenol
CID 114704496
4-[2-(5-Piperidin-4-ylimidazol-1-yl)ethyl]phenol
CID 114704498
4-[2-(5-Piperidin-3-ylimidazol-1-yl)ethyl]phenol
CID 114704500
3-[3-(2-Phenoxyethyl)imidazol-4-yl]piperidine
CID 114704541
3-[3-(3-Phenoxypropyl)imidazol-4-yl]piperidine
CID 114705825

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[3-(3-fluorophenoxy)imidazol-4-yl]piperidine?
The IUPAC name of (3S)-3-[3-(3-fluorophenoxy)imidazol-4-yl]piperidine (CID 174557341) is (3S)-3-[3-(3-fluorophenoxy)imidazol-4-yl]piperidine.
What is the SMILES notation for (3S)-3-[3-(3-fluorophenoxy)imidazol-4-yl]piperidine?
The canonical SMILES for (3S)-3-[3-(3-fluorophenoxy)imidazol-4-yl]piperidine is Fc1cccc(On2cncc2[C@H]2CCCNC2)c1.
What is the InChIKey of (3S)-3-[3-(3-fluorophenoxy)imidazol-4-yl]piperidine?
The InChIKey is LJUIRHVAYUDHDW-NSHDSACASA-N. The full InChI is InChI=1S/C14H16FN3O/c15-12-4-1-5-13(7-12)19-18-10-17-9-14(18)11-3-2-6-16-8-11/h1,4-5,7,9-11,16H,2-3,6,8H2/t11-/m0/s1.
What are the key properties of (3S)-3-[3-(3-fluorophenoxy)imidazol-4-yl]piperidine?
(3S)-3-[3-(3-fluorophenoxy)imidazol-4-yl]piperidine has a molecular weight of 261.30 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[3-(3-fluorophenoxy)imidazol-4-yl]piperidine is sourced from PubChem (CID 174557341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).