3-(4-fluorophenyl)-4-(methoxymethyl)-4-(1-pyrrolidin-1-ylethyl)piperidine

C19H29FN2O — CID 174806788

IUPAC3-(4-fluorophenyl)-4-(methoxymethyl)-4-(1-pyrrolidin-1-ylethyl)piperidine
SMILESCOCC1(C(C)N2CCCC2)CCNCC1c1ccc(F)cc1
InChIInChI=1S/C19H29FN2O/c1-15(22-11-3-4-12-22)19(14-23-2)9-10-21-13-18(19)16-5-7-17(20)8-6-16/h5-8,15,18,21H,3-4,9-14H2,1-2H3
InChIKeyJIKJAIDRTAIWFK-UHFFFAOYSA-N
MW320.45 g/mol
LogP3.02
Rot. Bonds5

About 3-(4-fluorophenyl)-4-(methoxymethyl)-4-(1-pyrrolidin-1-ylethyl)piperidine

3-(4-fluorophenyl)-4-(methoxymethyl)-4-(1-pyrrolidin-1-ylethyl)piperidine (PubChem CID 174806788) has the molecular formula C19H29FN2O and a molecular weight of 320.45 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-(methoxymethyl)-4-(1-pyrrolidin-1-ylethyl)piperidine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-(methoxymethyl)-4-(1-pyrrolidin-1-ylethyl)piperidine
PubChem CID174806788
Molecular FormulaC19H29FN2O
Molecular Weight320.45 g/mol
Exact Mass320.23
IUPAC Name3-(4-fluorophenyl)-4-(methoxymethyl)-4-(1-pyrrolidin-1-ylethyl)piperidine
SMILESCOCC1(C(C)N2CCCC2)CCNCC1c1ccc(F)cc1
InChIInChI=1S/C19H29FN2O/c1-15(22-11-3-4-12-22)19(14-23-2)9-10-21-13-18(19)16-5-7-17(20)8-6-16/h5-8,15,18,21H,3-4,9-14H2,1-2H3
InChIKeyJIKJAIDRTAIWFK-UHFFFAOYSA-N
XLogP3.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.45
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-(methoxymethyl)-4-(1-pyrrolidin-1-ylethyl)piperidine?
The IUPAC name of 3-(4-fluorophenyl)-4-(methoxymethyl)-4-(1-pyrrolidin-1-ylethyl)piperidine (CID 174806788) is 3-(4-fluorophenyl)-4-(methoxymethyl)-4-(1-pyrrolidin-1-ylethyl)piperidine.
What is the SMILES notation for 3-(4-fluorophenyl)-4-(methoxymethyl)-4-(1-pyrrolidin-1-ylethyl)piperidine?
The canonical SMILES for 3-(4-fluorophenyl)-4-(methoxymethyl)-4-(1-pyrrolidin-1-ylethyl)piperidine is COCC1(C(C)N2CCCC2)CCNCC1c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-4-(methoxymethyl)-4-(1-pyrrolidin-1-ylethyl)piperidine?
The InChIKey is JIKJAIDRTAIWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O/c1-15(22-11-3-4-12-22)19(14-23-2)9-10-21-13-18(19)16-5-7-17(20)8-6-16/h5-8,15,18,21H,3-4,9-14H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-4-(methoxymethyl)-4-(1-pyrrolidin-1-ylethyl)piperidine?
3-(4-fluorophenyl)-4-(methoxymethyl)-4-(1-pyrrolidin-1-ylethyl)piperidine has a molecular weight of 320.45 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-(methoxymethyl)-4-(1-pyrrolidin-1-ylethyl)piperidine is sourced from PubChem (CID 174806788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).