4-fluoro-1-[[4-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]piperidine

C19H29FN2O — CID 44592127

IUPAC4-fluoro-1-[[4-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]piperidine
SMILESFC1CCN(Cc2ccc(OCCCN3CCCC3)cc2)CC1
InChIInChI=1S/C19H29FN2O/c20-18-8-13-22(14-9-18)16-17-4-6-19(7-5-17)23-15-3-12-21-10-1-2-11-21/h4-7,18H,1-3,8-16H2
InChIKeyHFIUBCONEIWSRO-UHFFFAOYSA-N
MW320.45 g/mol
LogP3.49
Rot. Bonds7

About 4-fluoro-1-[[4-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]piperidine

4-fluoro-1-[[4-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]piperidine (PubChem CID 44592127) has the molecular formula C19H29FN2O and a molecular weight of 320.45 g/mol. Its IUPAC name is 4-fluoro-1-[[4-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]piperidine.

Molecular Properties

Compound Name4-fluoro-1-[[4-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]piperidine
PubChem CID44592127
Molecular FormulaC19H29FN2O
Molecular Weight320.45 g/mol
Exact Mass320.23
IUPAC Name4-fluoro-1-[[4-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]piperidine
SMILESFC1CCN(Cc2ccc(OCCCN3CCCC3)cc2)CC1
InChIInChI=1S/C19H29FN2O/c20-18-8-13-22(14-9-18)16-17-4-6-19(7-5-17)23-15-3-12-21-10-1-2-11-21/h4-7,18H,1-3,8-16H2
InChIKeyHFIUBCONEIWSRO-UHFFFAOYSA-N
XLogP3.49
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.45
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-[[4-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]piperidine?
The IUPAC name of 4-fluoro-1-[[4-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]piperidine (CID 44592127) is 4-fluoro-1-[[4-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]piperidine.
What is the SMILES notation for 4-fluoro-1-[[4-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]piperidine?
The canonical SMILES for 4-fluoro-1-[[4-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]piperidine is FC1CCN(Cc2ccc(OCCCN3CCCC3)cc2)CC1.
What is the InChIKey of 4-fluoro-1-[[4-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]piperidine?
The InChIKey is HFIUBCONEIWSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O/c20-18-8-13-22(14-9-18)16-17-4-6-19(7-5-17)23-15-3-12-21-10-1-2-11-21/h4-7,18H,1-3,8-16H2.
What are the key properties of 4-fluoro-1-[[4-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]piperidine?
4-fluoro-1-[[4-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]piperidine has a molecular weight of 320.45 g/mol, XLogP of 3.49, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-[[4-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]piperidine is sourced from PubChem (CID 44592127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).