[1-(4-fluorophenyl)cyclopropyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone

C15H18FNO2 — CID 93041192

IUPAC[1-(4-fluorophenyl)cyclopropyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
SMILESO=C(N1CCC[C@H](O)C1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H18FNO2/c16-12-5-3-11(4-6-12)15(7-8-15)14(19)17-9-1-2-13(18)10-17/h3-6,13,18H,1-2,7-10H2/t13-/m0/s1
InChIKeyOXDCBWLKIVNMQQ-ZDUSSCGKSA-N
MW263.31 g/mol
LogP1.84
Rot. Bonds2

About [1-(4-fluorophenyl)cyclopropyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone

[1-(4-fluorophenyl)cyclopropyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone (PubChem CID 93041192) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is [1-(4-fluorophenyl)cyclopropyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)cyclopropyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
PubChem CID93041192
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name[1-(4-fluorophenyl)cyclopropyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
SMILESO=C(N1CCC[C@H](O)C1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H18FNO2/c16-12-5-3-11(4-6-12)15(7-8-15)14(19)17-9-1-2-13(18)10-17/h3-6,13,18H,1-2,7-10H2/t13-/m0/s1
InChIKeyOXDCBWLKIVNMQQ-ZDUSSCGKSA-N
XLogP1.84
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)cyclopropyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The IUPAC name of [1-(4-fluorophenyl)cyclopropyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone (CID 93041192) is [1-(4-fluorophenyl)cyclopropyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone.
What is the SMILES notation for [1-(4-fluorophenyl)cyclopropyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The canonical SMILES for [1-(4-fluorophenyl)cyclopropyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone is O=C(N1CCC[C@H](O)C1)C1(c2ccc(F)cc2)CC1.
What is the InChIKey of [1-(4-fluorophenyl)cyclopropyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The InChIKey is OXDCBWLKIVNMQQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18FNO2/c16-12-5-3-11(4-6-12)15(7-8-15)14(19)17-9-1-2-13(18)10-17/h3-6,13,18H,1-2,7-10H2/t13-/m0/s1.
What are the key properties of [1-(4-fluorophenyl)cyclopropyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone?
[1-(4-fluorophenyl)cyclopropyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone has a molecular weight of 263.31 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)cyclopropyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone is sourced from PubChem (CID 93041192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).