1-[[2-fluoro-4-(pyrrolidin-2-ylmethyl)phenyl]methyl]piperidine

C17H25FN2 — CID 117443093

IUPAC1-[[2-fluoro-4-(pyrrolidin-2-ylmethyl)phenyl]methyl]piperidine
SMILESFc1cc(CC2CCCN2)ccc1CN1CCCCC1
InChIInChI=1S/C17H25FN2/c18-17-12-14(11-16-5-4-8-19-16)6-7-15(17)13-20-9-2-1-3-10-20/h6-7,12,16,19H,1-5,8-11,13H2
InChIKeyWKRGCBZTGDPHLL-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.11
Rot. Bonds4

About 1-[[2-fluoro-4-(pyrrolidin-2-ylmethyl)phenyl]methyl]piperidine

1-[[2-fluoro-4-(pyrrolidin-2-ylmethyl)phenyl]methyl]piperidine (PubChem CID 117443093) has the molecular formula C17H25FN2 and a molecular weight of 276.40 g/mol. Its IUPAC name is 1-[[2-fluoro-4-(pyrrolidin-2-ylmethyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name1-[[2-fluoro-4-(pyrrolidin-2-ylmethyl)phenyl]methyl]piperidine
PubChem CID117443093
Molecular FormulaC17H25FN2
Molecular Weight276.40 g/mol
Exact Mass276.20
IUPAC Name1-[[2-fluoro-4-(pyrrolidin-2-ylmethyl)phenyl]methyl]piperidine
SMILESFc1cc(CC2CCCN2)ccc1CN1CCCCC1
InChIInChI=1S/C17H25FN2/c18-17-12-14(11-16-5-4-8-19-16)6-7-15(17)13-20-9-2-1-3-10-20/h6-7,12,16,19H,1-5,8-11,13H2
InChIKeyWKRGCBZTGDPHLL-UHFFFAOYSA-N
XLogP3.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-fluoro-4-pyrrolidin-2-ylphenyl)methyl]piperidine
CID 117411013
2-fluoro-4-(pyrrolidin-2-ylmethyl)phenol
CID 82606233
2-fluoro-4-(pyrrolidin-2-ylmethyl)aniline
CID 84665550
(2S)-2-[(3-fluoro-4-methylphenyl)methyl]pyrrolidine
CID 58580794
2-[(3,4,5-trifluorophenyl)methyl]pyrrolidine
CID 104688006
1-methyl-4-[[4-(pyrrolidin-2-ylmethyl)phenyl]methyl]piperazine
CID 117436736
2-[(3-fluorophenyl)methyl]azepane
CID 62544707
2-[(3,5-difluorophenyl)methyl]piperidine
CID 62791911
3-fluoro-4-(pyrrolidin-1-ylmethyl)benzenethiol
CID 91656590
2-[(3-fluoro-4-methylsulfonylphenyl)methyl]piperidine
CID 117431316
2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperidine
CID 117360963
1-[[4-(2,2-dimethylpropyl)-3-fluorophenyl]methyl]piperidine
CID 169075487

Frequently Asked Questions

What is the IUPAC name of 1-[[2-fluoro-4-(pyrrolidin-2-ylmethyl)phenyl]methyl]piperidine?
The IUPAC name of 1-[[2-fluoro-4-(pyrrolidin-2-ylmethyl)phenyl]methyl]piperidine (CID 117443093) is 1-[[2-fluoro-4-(pyrrolidin-2-ylmethyl)phenyl]methyl]piperidine.
What is the SMILES notation for 1-[[2-fluoro-4-(pyrrolidin-2-ylmethyl)phenyl]methyl]piperidine?
The canonical SMILES for 1-[[2-fluoro-4-(pyrrolidin-2-ylmethyl)phenyl]methyl]piperidine is Fc1cc(CC2CCCN2)ccc1CN1CCCCC1.
What is the InChIKey of 1-[[2-fluoro-4-(pyrrolidin-2-ylmethyl)phenyl]methyl]piperidine?
The InChIKey is WKRGCBZTGDPHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2/c18-17-12-14(11-16-5-4-8-19-16)6-7-15(17)13-20-9-2-1-3-10-20/h6-7,12,16,19H,1-5,8-11,13H2.
What are the key properties of 1-[[2-fluoro-4-(pyrrolidin-2-ylmethyl)phenyl]methyl]piperidine?
1-[[2-fluoro-4-(pyrrolidin-2-ylmethyl)phenyl]methyl]piperidine has a molecular weight of 276.40 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-fluoro-4-(pyrrolidin-2-ylmethyl)phenyl]methyl]piperidine is sourced from PubChem (CID 117443093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).