(3R)-3-[4-(4-fluorophenyl)imidazol-1-yl]piperidine

C14H16FN3 — CID 175254745

IUPAC(3R)-3-[4-(4-fluorophenyl)imidazol-1-yl]piperidine
SMILESFc1ccc(-c2cn([C@@H]3CCCNC3)cn2)cc1
InChIInChI=1S/C14H16FN3/c15-12-5-3-11(4-6-12)14-9-18(10-17-14)13-2-1-7-16-8-13/h3-6,9-10,13,16H,1-2,7-8H2/t13-/m1/s1
InChIKeyLCMMBZHQFQKXQR-CYBMUJFWSA-N
MW245.30 g/mol
LogP2.61
Rot. Bonds2

About (3R)-3-[4-(4-fluorophenyl)imidazol-1-yl]piperidine

(3R)-3-[4-(4-fluorophenyl)imidazol-1-yl]piperidine (PubChem CID 175254745) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is (3R)-3-[4-(4-fluorophenyl)imidazol-1-yl]piperidine.

Molecular Properties

Compound Name(3R)-3-[4-(4-fluorophenyl)imidazol-1-yl]piperidine
PubChem CID175254745
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name(3R)-3-[4-(4-fluorophenyl)imidazol-1-yl]piperidine
SMILESFc1ccc(-c2cn([C@@H]3CCCNC3)cn2)cc1
InChIInChI=1S/C14H16FN3/c15-12-5-3-11(4-6-12)14-9-18(10-17-14)13-2-1-7-16-8-13/h3-6,9-10,13,16H,1-2,7-8H2/t13-/m1/s1
InChIKeyLCMMBZHQFQKXQR-CYBMUJFWSA-N
XLogP2.61
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-(4-fluorophenyl)imidazol-1-yl]piperidine?
The IUPAC name of (3R)-3-[4-(4-fluorophenyl)imidazol-1-yl]piperidine (CID 175254745) is (3R)-3-[4-(4-fluorophenyl)imidazol-1-yl]piperidine.
What is the SMILES notation for (3R)-3-[4-(4-fluorophenyl)imidazol-1-yl]piperidine?
The canonical SMILES for (3R)-3-[4-(4-fluorophenyl)imidazol-1-yl]piperidine is Fc1ccc(-c2cn([C@@H]3CCCNC3)cn2)cc1.
What is the InChIKey of (3R)-3-[4-(4-fluorophenyl)imidazol-1-yl]piperidine?
The InChIKey is LCMMBZHQFQKXQR-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H16FN3/c15-12-5-3-11(4-6-12)14-9-18(10-17-14)13-2-1-7-16-8-13/h3-6,9-10,13,16H,1-2,7-8H2/t13-/m1/s1.
What are the key properties of (3R)-3-[4-(4-fluorophenyl)imidazol-1-yl]piperidine?
(3R)-3-[4-(4-fluorophenyl)imidazol-1-yl]piperidine has a molecular weight of 245.30 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-(4-fluorophenyl)imidazol-1-yl]piperidine is sourced from PubChem (CID 175254745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).