[1-[3-(3-fluorophenyl)propyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol

C19H26FN3O — CID 110009556

IUPAC[1-[3-(3-fluorophenyl)propyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1C(O)C1CCN(CCCc2cccc(F)c2)CC1
InChIInChI=1S/C19H26FN3O/c1-22-13-9-21-19(22)18(24)16-7-11-23(12-8-16)10-3-5-15-4-2-6-17(20)14-15/h2,4,6,9,13-14,16,18,24H,3,5,7-8,10-12H2,1H3
InChIKeyVWKOLLJDHWWLMK-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.94
Rot. Bonds6

About [1-[3-(3-fluorophenyl)propyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol

[1-[3-(3-fluorophenyl)propyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol (PubChem CID 110009556) has the molecular formula C19H26FN3O and a molecular weight of 331.44 g/mol. Its IUPAC name is [1-[3-(3-fluorophenyl)propyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Name[1-[3-(3-fluorophenyl)propyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
PubChem CID110009556
Molecular FormulaC19H26FN3O
Molecular Weight331.44 g/mol
Exact Mass331.21
IUPAC Name[1-[3-(3-fluorophenyl)propyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1C(O)C1CCN(CCCc2cccc(F)c2)CC1
InChIInChI=1S/C19H26FN3O/c1-22-13-9-21-19(22)18(24)16-7-11-23(12-8-16)10-3-5-15-4-2-6-17(20)14-15/h2,4,6,9,13-14,16,18,24H,3,5,7-8,10-12H2,1H3
InChIKeyVWKOLLJDHWWLMK-UHFFFAOYSA-N
XLogP2.94
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(3-fluorophenyl)propyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The IUPAC name of [1-[3-(3-fluorophenyl)propyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol (CID 110009556) is [1-[3-(3-fluorophenyl)propyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol.
What is the SMILES notation for [1-[3-(3-fluorophenyl)propyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The canonical SMILES for [1-[3-(3-fluorophenyl)propyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol is Cn1ccnc1C(O)C1CCN(CCCc2cccc(F)c2)CC1.
What is the InChIKey of [1-[3-(3-fluorophenyl)propyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The InChIKey is VWKOLLJDHWWLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O/c1-22-13-9-21-19(22)18(24)16-7-11-23(12-8-16)10-3-5-15-4-2-6-17(20)14-15/h2,4,6,9,13-14,16,18,24H,3,5,7-8,10-12H2,1H3.
What are the key properties of [1-[3-(3-fluorophenyl)propyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
[1-[3-(3-fluorophenyl)propyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol has a molecular weight of 331.44 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(3-fluorophenyl)propyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 110009556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).