4-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-fluoropyridine

C17H23FN4 — CID 97203413

IUPAC4-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-fluoropyridine
SMILESCCCCn1ccnc1[C@H]1CCCN(c2ccncc2F)C1
InChIInChI=1S/C17H23FN4/c1-2-3-9-21-11-8-20-17(21)14-5-4-10-22(13-14)16-6-7-19-12-15(16)18/h6-8,11-12,14H,2-5,9-10,13H2,1H3/t14-/m0/s1
InChIKeyQRZDBGGYDGFOIW-AWEZNQCLSA-N
MW302.40 g/mol
LogP3.60
Rot. Bonds5

About 4-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-fluoropyridine

4-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-fluoropyridine (PubChem CID 97203413) has the molecular formula C17H23FN4 and a molecular weight of 302.40 g/mol. Its IUPAC name is 4-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-fluoropyridine.

Molecular Properties

Compound Name4-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-fluoropyridine
PubChem CID97203413
Molecular FormulaC17H23FN4
Molecular Weight302.40 g/mol
Exact Mass302.19
IUPAC Name4-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-fluoropyridine
SMILESCCCCn1ccnc1[C@H]1CCCN(c2ccncc2F)C1
InChIInChI=1S/C17H23FN4/c1-2-3-9-21-11-8-20-17(21)14-5-4-10-22(13-14)16-6-7-19-12-15(16)18/h6-8,11-12,14H,2-5,9-10,13H2,1H3/t14-/m0/s1
InChIKeyQRZDBGGYDGFOIW-AWEZNQCLSA-N
XLogP3.60
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-fluoropyridine
CID 97203412
4-[[2-[1-(3-fluoro-4-pyridinyl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 72901239
2-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-methylpyridine
CID 97192145
6-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-N,N-dimethylpyrazin-2-amine
CID 97192564
3-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-5-ethyl-1,2,4-oxadiazole
CID 72858078
3-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-5-ethyl-1,2,4-oxadiazole
CID 97191148
(3R)-3-(1-butylimidazol-2-yl)-1-pyrrolidin-1-ylsulfonylpiperidine
CID 97199500
3-(1-butylimidazol-2-yl)-1-pyrrolidin-1-ylsulfonylpiperidine
CID 72893126
2-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-6-fluoro-4-methylquinoline
CID 97209448
2-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-6-fluoro-4-methylquinoline
CID 72934277
4-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]pyridine
CID 97153303
4-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-methyl-6-propylpyrimidine
CID 72857071

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-fluoropyridine?
The IUPAC name of 4-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-fluoropyridine (CID 97203413) is 4-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-fluoropyridine.
What is the SMILES notation for 4-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-fluoropyridine?
The canonical SMILES for 4-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-fluoropyridine is CCCCn1ccnc1[C@H]1CCCN(c2ccncc2F)C1.
What is the InChIKey of 4-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-fluoropyridine?
The InChIKey is QRZDBGGYDGFOIW-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23FN4/c1-2-3-9-21-11-8-20-17(21)14-5-4-10-22(13-14)16-6-7-19-12-15(16)18/h6-8,11-12,14H,2-5,9-10,13H2,1H3/t14-/m0/s1.
What are the key properties of 4-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-fluoropyridine?
4-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-fluoropyridine has a molecular weight of 302.40 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-fluoropyridine is sourced from PubChem (CID 97203413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).