(4-fluorophenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone

C16H21FN2O — CID 116559689

IUPAC(4-fluorophenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
SMILESO=C(c1ccc(F)cc1)C1CCCN1C1CCNCC1
InChIInChI=1S/C16H21FN2O/c17-13-5-3-12(4-6-13)16(20)15-2-1-11-19(15)14-7-9-18-10-8-14/h3-6,14-15,18H,1-2,7-11H2
InChIKeyCQDRIBQAESOMDZ-UHFFFAOYSA-N
MW276.35 g/mol
LogP2.22
Rot. Bonds3

About (4-fluorophenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone

(4-fluorophenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone (PubChem CID 116559689) has the molecular formula C16H21FN2O and a molecular weight of 276.35 g/mol. Its IUPAC name is (4-fluorophenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
PubChem CID116559689
Molecular FormulaC16H21FN2O
Molecular Weight276.35 g/mol
Exact Mass276.16
IUPAC Name(4-fluorophenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
SMILESO=C(c1ccc(F)cc1)C1CCCN1C1CCNCC1
InChIInChI=1S/C16H21FN2O/c17-13-5-3-12(4-6-13)16(20)15-2-1-11-19(15)14-7-9-18-10-8-14/h3-6,14-15,18H,1-2,7-11H2
InChIKeyCQDRIBQAESOMDZ-UHFFFAOYSA-N
XLogP2.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Alpha-Pyrrolidinopentiophenone
CID 11148955
Pentedrone
CID 57501499
alpha-PHP
CID 102107923
4-(4-Fluorobenzoyl)piperidine
CID 2724440
Azabuperone
CID 18484
4'-Fluoro-alpha-pyrrolidinopentiophenone
CID 11322641
alpha-Pyrrolidinononanophenone
CID 69247748
4-Fluoromethcathinone
CID 49853406
3'-Fluoromethcathinone
CID 53415330
2-(Tert-butylamino)-1-(3-fluorophenyl)propan-1-one
CID 215051
1-(4-Fluoro-phenyl)-2-piperidin-1-yl-ethanone
CID 16682093
Buronil
CID 15386

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone?
The IUPAC name of (4-fluorophenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone (CID 116559689) is (4-fluorophenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone.
What is the SMILES notation for (4-fluorophenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone?
The canonical SMILES for (4-fluorophenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone is O=C(c1ccc(F)cc1)C1CCCN1C1CCNCC1.
What is the InChIKey of (4-fluorophenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone?
The InChIKey is CQDRIBQAESOMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O/c17-13-5-3-12(4-6-13)16(20)15-2-1-11-19(15)14-7-9-18-10-8-14/h3-6,14-15,18H,1-2,7-11H2.
What are the key properties of (4-fluorophenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone?
(4-fluorophenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone has a molecular weight of 276.35 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 116559689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).