3-fluoro-2-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]pyridine

C16H21FN4O — CID 97128849

IUPAC3-fluoro-2-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]pyridine
SMILESCOCCn1ccnc1[C@@H]1CCCN(c2ncccc2F)C1
InChIInChI=1S/C16H21FN4O/c1-22-11-10-20-9-7-19-15(20)13-4-3-8-21(12-13)16-14(17)5-2-6-18-16/h2,5-7,9,13H,3-4,8,10-12H2,1H3/t13-/m1/s1
InChIKeyPIKKVVCZGDQGJO-CYBMUJFWSA-N
MW304.37 g/mol
LogP2.45
Rot. Bonds5

About 3-fluoro-2-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]pyridine

3-fluoro-2-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]pyridine (PubChem CID 97128849) has the molecular formula C16H21FN4O and a molecular weight of 304.37 g/mol. Its IUPAC name is 3-fluoro-2-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]pyridine.

Molecular Properties

Compound Name3-fluoro-2-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]pyridine
PubChem CID97128849
Molecular FormulaC16H21FN4O
Molecular Weight304.37 g/mol
Exact Mass304.17
IUPAC Name3-fluoro-2-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]pyridine
SMILESCOCCn1ccnc1[C@@H]1CCCN(c2ncccc2F)C1
InChIInChI=1S/C16H21FN4O/c1-22-11-10-20-9-7-19-15(20)13-4-3-8-21(12-13)16-14(17)5-2-6-18-16/h2,5-7,9,13H,3-4,8,10-12H2,1H3/t13-/m1/s1
InChIKeyPIKKVVCZGDQGJO-CYBMUJFWSA-N
XLogP2.45
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-methylpyridine
CID 97192145
6-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-methylsulfanylpyrimidin-4-amine
CID 97155887
3-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]sulfonylpyridine
CID 70716561
N,N-dimethyl-3-[2-[(3S)-1-(3-pyrrolidin-1-ylpyrazin-2-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine
CID 97277170
[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 97278548
2-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxamide
CID 72895526
1-(2-methoxyethyl)-2-[(2S)-1-methylpyrrolidin-2-yl]imidazole
CID 168941227
1-(3-fluoro-2-pyridinyl)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazine
CID 50976058
4-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-fluoropyridine
CID 97203413
4-[[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methyl]benzoic acid
CID 97122082
1-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 97131606
4-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-fluoropyridine
CID 97203412

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]pyridine?
The IUPAC name of 3-fluoro-2-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]pyridine (CID 97128849) is 3-fluoro-2-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]pyridine.
What is the SMILES notation for 3-fluoro-2-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]pyridine?
The canonical SMILES for 3-fluoro-2-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]pyridine is COCCn1ccnc1[C@@H]1CCCN(c2ncccc2F)C1.
What is the InChIKey of 3-fluoro-2-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]pyridine?
The InChIKey is PIKKVVCZGDQGJO-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21FN4O/c1-22-11-10-20-9-7-19-15(20)13-4-3-8-21(12-13)16-14(17)5-2-6-18-16/h2,5-7,9,13H,3-4,8,10-12H2,1H3/t13-/m1/s1.
What are the key properties of 3-fluoro-2-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]pyridine?
3-fluoro-2-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]pyridine has a molecular weight of 304.37 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]pyridine is sourced from PubChem (CID 97128849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).