[1-(4-fluorophenyl)cyclopropyl]-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone

C21H23FN2O2 — CID 72904342

IUPAC[1-(4-fluorophenyl)cyclopropyl]-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
SMILESO=C(N1CCC(OCc2ccccn2)CC1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H23FN2O2/c22-17-6-4-16(5-7-17)21(10-11-21)20(25)24-13-8-19(9-14-24)26-15-18-3-1-2-12-23-18/h1-7,12,19H,8-11,13-15H2
InChIKeyVRIBTLQKRONMCL-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.46
Rot. Bonds5

About [1-(4-fluorophenyl)cyclopropyl]-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone

[1-(4-fluorophenyl)cyclopropyl]-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone (PubChem CID 72904342) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is [1-(4-fluorophenyl)cyclopropyl]-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)cyclopropyl]-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
PubChem CID72904342
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC Name[1-(4-fluorophenyl)cyclopropyl]-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
SMILESO=C(N1CCC(OCc2ccccn2)CC1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H23FN2O2/c22-17-6-4-16(5-7-17)21(10-11-21)20(25)24-13-8-19(9-14-24)26-15-18-3-1-2-12-23-18/h1-7,12,19H,8-11,13-15H2
InChIKeyVRIBTLQKRONMCL-UHFFFAOYSA-N
XLogP3.46
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)cyclopropyl]-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone?
The IUPAC name of [1-(4-fluorophenyl)cyclopropyl]-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone (CID 72904342) is [1-(4-fluorophenyl)cyclopropyl]-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(4-fluorophenyl)cyclopropyl]-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone?
The canonical SMILES for [1-(4-fluorophenyl)cyclopropyl]-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone is O=C(N1CCC(OCc2ccccn2)CC1)C1(c2ccc(F)cc2)CC1.
What is the InChIKey of [1-(4-fluorophenyl)cyclopropyl]-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone?
The InChIKey is VRIBTLQKRONMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2/c22-17-6-4-16(5-7-17)21(10-11-21)20(25)24-13-8-19(9-14-24)26-15-18-3-1-2-12-23-18/h1-7,12,19H,8-11,13-15H2.
What are the key properties of [1-(4-fluorophenyl)cyclopropyl]-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone?
[1-(4-fluorophenyl)cyclopropyl]-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone has a molecular weight of 354.43 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)cyclopropyl]-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 72904342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).