1-[[4-(4-fluorophenyl)pyrrolidin-3-yl]methyl]piperidine

C16H23FN2 — CID 42863556

IUPAC1-[[4-(4-fluorophenyl)pyrrolidin-3-yl]methyl]piperidine
SMILESFc1ccc(C2CNCC2CN2CCCCC2)cc1
InChIInChI=1S/C16H23FN2/c17-15-6-4-13(5-7-15)16-11-18-10-14(16)12-19-8-2-1-3-9-19/h4-7,14,16,18H,1-3,8-12H2
InChIKeyDKIXWLQMGASLDD-UHFFFAOYSA-N
MW262.37 g/mol
LogP2.61
Rot. Bonds3

About 1-[[4-(4-fluorophenyl)pyrrolidin-3-yl]methyl]piperidine

1-[[4-(4-fluorophenyl)pyrrolidin-3-yl]methyl]piperidine (PubChem CID 42863556) has the molecular formula C16H23FN2 and a molecular weight of 262.37 g/mol. Its IUPAC name is 1-[[4-(4-fluorophenyl)pyrrolidin-3-yl]methyl]piperidine.

Molecular Properties

Compound Name1-[[4-(4-fluorophenyl)pyrrolidin-3-yl]methyl]piperidine
PubChem CID42863556
Molecular FormulaC16H23FN2
Molecular Weight262.37 g/mol
Exact Mass262.18
IUPAC Name1-[[4-(4-fluorophenyl)pyrrolidin-3-yl]methyl]piperidine
SMILESFc1ccc(C2CNCC2CN2CCCCC2)cc1
InChIInChI=1S/C16H23FN2/c17-15-6-4-13(5-7-15)16-11-18-10-14(16)12-19-8-2-1-3-9-19/h4-7,14,16,18H,1-3,8-12H2
InChIKeyDKIXWLQMGASLDD-UHFFFAOYSA-N
XLogP2.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-(4-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 42863539
(4-fluorophenyl)-[3-(4-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 42863664
1-[[(3R)-4-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidin-4-ol
CID 143833939
2-[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-3-yl]ethanol
CID 70154819
1-[(4-tert-butylpyrrolidin-3-yl)methyl]-4-(4-fluorophenyl)piperidine
CID 18335090
(4S)-3-(4-fluorophenyl)-4-methylpyrrolidine
CID 58606790
(3R,4R)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-ol
CID 129314168
2-cyclopentyl-1-[(3S,4R)-3-(4-fluorophenyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 92991702
2-cyclopentyl-1-[3-(4-fluorophenyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 46062674
1-[3-(4-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 42863671
1-(4-fluorophenyl)-4-[[(4R)-4-methylpyrrolidin-3-yl]methyl]-1,4-diazepane
CID 142524325
1-[(4-methylpyrrolidin-3-yl)methyl]azepane
CID 63715689

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-fluorophenyl)pyrrolidin-3-yl]methyl]piperidine?
The IUPAC name of 1-[[4-(4-fluorophenyl)pyrrolidin-3-yl]methyl]piperidine (CID 42863556) is 1-[[4-(4-fluorophenyl)pyrrolidin-3-yl]methyl]piperidine.
What is the SMILES notation for 1-[[4-(4-fluorophenyl)pyrrolidin-3-yl]methyl]piperidine?
The canonical SMILES for 1-[[4-(4-fluorophenyl)pyrrolidin-3-yl]methyl]piperidine is Fc1ccc(C2CNCC2CN2CCCCC2)cc1.
What is the InChIKey of 1-[[4-(4-fluorophenyl)pyrrolidin-3-yl]methyl]piperidine?
The InChIKey is DKIXWLQMGASLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2/c17-15-6-4-13(5-7-15)16-11-18-10-14(16)12-19-8-2-1-3-9-19/h4-7,14,16,18H,1-3,8-12H2.
What are the key properties of 1-[[4-(4-fluorophenyl)pyrrolidin-3-yl]methyl]piperidine?
1-[[4-(4-fluorophenyl)pyrrolidin-3-yl]methyl]piperidine has a molecular weight of 262.37 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-fluorophenyl)pyrrolidin-3-yl]methyl]piperidine is sourced from PubChem (CID 42863556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).