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

C16H23FN2 — CID 117411013

IUPAC1-[(2-fluoro-4-pyrrolidin-2-ylphenyl)methyl]piperidine
SMILESFc1cc(C2CCCN2)ccc1CN1CCCCC1
InChIInChI=1S/C16H23FN2/c17-15-11-13(16-5-4-8-18-16)6-7-14(15)12-19-9-2-1-3-10-19/h6-7,11,16,18H,1-5,8-10,12H2
InChIKeyNSCHOMSNBDYBDI-UHFFFAOYSA-N
MW262.37 g/mol
LogP3.24
Rot. Bonds3

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

1-[(2-fluoro-4-pyrrolidin-2-ylphenyl)methyl]piperidine (PubChem CID 117411013) has the molecular formula C16H23FN2 and a molecular weight of 262.37 g/mol. Its IUPAC name is 1-[(2-fluoro-4-pyrrolidin-2-ylphenyl)methyl]piperidine.

Molecular Properties

Compound Name1-[(2-fluoro-4-pyrrolidin-2-ylphenyl)methyl]piperidine
PubChem CID117411013
Molecular FormulaC16H23FN2
Molecular Weight262.37 g/mol
Exact Mass262.18
IUPAC Name1-[(2-fluoro-4-pyrrolidin-2-ylphenyl)methyl]piperidine
SMILESFc1cc(C2CCCN2)ccc1CN1CCCCC1
InChIInChI=1S/C16H23FN2/c17-15-11-13(16-5-4-8-18-16)6-7-14(15)12-19-9-2-1-3-10-19/h6-7,11,16,18H,1-5,8-10,12H2
InChIKeyNSCHOMSNBDYBDI-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-chloro-4-piperidin-2-ylphenyl)methyl]piperidine
CID 117472785
1-[(4-pyrrolidin-2-ylphenyl)methyl]piperidine
CID 58597255
1-[[2-fluoro-4-(pyrrolidin-2-ylmethyl)phenyl]methyl]piperidine
CID 117443093
2-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]morpholine
CID 117446560
2-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-3,4,5,6-tetrahydro-2H-azepine
CID 91017912
2-(3-ethyl-4-fluorophenyl)pyrrolidine
CID 117284037
4-[(2-fluoro-4-piperidin-3-ylphenyl)methyl]morpholine
CID 117446553
1-[(2-piperidin-2-ylphenyl)methyl]piperidine
CID 117400046
[5-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117490871
4-(azepan-1-ylmethyl)-3-fluorobenzonitrile
CID 24711476
1-[(4-pyrrolidin-2-ylphenyl)methyl]piperazine
CID 117366264
3-fluoro-4-(pyrrolidin-1-ylmethyl)benzenethiol
CID 91656590

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-4-pyrrolidin-2-ylphenyl)methyl]piperidine?
The IUPAC name of 1-[(2-fluoro-4-pyrrolidin-2-ylphenyl)methyl]piperidine (CID 117411013) is 1-[(2-fluoro-4-pyrrolidin-2-ylphenyl)methyl]piperidine.
What is the SMILES notation for 1-[(2-fluoro-4-pyrrolidin-2-ylphenyl)methyl]piperidine?
The canonical SMILES for 1-[(2-fluoro-4-pyrrolidin-2-ylphenyl)methyl]piperidine is Fc1cc(C2CCCN2)ccc1CN1CCCCC1.
What is the InChIKey of 1-[(2-fluoro-4-pyrrolidin-2-ylphenyl)methyl]piperidine?
The InChIKey is NSCHOMSNBDYBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2/c17-15-11-13(16-5-4-8-18-16)6-7-14(15)12-19-9-2-1-3-10-19/h6-7,11,16,18H,1-5,8-10,12H2.
What are the key properties of 1-[(2-fluoro-4-pyrrolidin-2-ylphenyl)methyl]piperidine?
1-[(2-fluoro-4-pyrrolidin-2-ylphenyl)methyl]piperidine has a molecular weight of 262.37 g/mol, XLogP of 3.24, 3 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-ylphenyl)methyl]piperidine is sourced from PubChem (CID 117411013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).