1-(3-methylbutan-2-yl)-5-phenyl-2-[4-(propan-2-yloxymethyl)pyrrolidin-2-yl]piperidine

C24H40N2O — CID 138545728

IUPAC1-(3-methylbutan-2-yl)-5-phenyl-2-[4-(propan-2-yloxymethyl)pyrrolidin-2-yl]piperidine
SMILESCC(C)OCC1CNC(C2CCC(c3ccccc3)CN2C(C)C(C)C)C1
InChIInChI=1S/C24H40N2O/c1-17(2)19(5)26-15-22(21-9-7-6-8-10-21)11-12-24(26)23-13-20(14-25-23)16-27-18(3)4/h6-10,17-20,22-25H,11-16H2,1-5H3
InChIKeyAAQPCRUABHWEFP-UHFFFAOYSA-N
MW372.60 g/mol
LogP4.68
Rot. Bonds7

About 1-(3-methylbutan-2-yl)-5-phenyl-2-[4-(propan-2-yloxymethyl)pyrrolidin-2-yl]piperidine

1-(3-methylbutan-2-yl)-5-phenyl-2-[4-(propan-2-yloxymethyl)pyrrolidin-2-yl]piperidine (PubChem CID 138545728) has the molecular formula C24H40N2O and a molecular weight of 372.60 g/mol. Its IUPAC name is 1-(3-methylbutan-2-yl)-5-phenyl-2-[4-(propan-2-yloxymethyl)pyrrolidin-2-yl]piperidine.

Molecular Properties

Compound Name1-(3-methylbutan-2-yl)-5-phenyl-2-[4-(propan-2-yloxymethyl)pyrrolidin-2-yl]piperidine
PubChem CID138545728
Molecular FormulaC24H40N2O
Molecular Weight372.60 g/mol
Exact Mass372.31
IUPAC Name1-(3-methylbutan-2-yl)-5-phenyl-2-[4-(propan-2-yloxymethyl)pyrrolidin-2-yl]piperidine
SMILESCC(C)OCC1CNC(C2CCC(c3ccccc3)CN2C(C)C(C)C)C1
InChIInChI=1S/C24H40N2O/c1-17(2)19(5)26-15-22(21-9-7-6-8-10-21)11-12-24(26)23-13-20(14-25-23)16-27-18(3)4/h6-10,17-20,22-25H,11-16H2,1-5H3
InChIKeyAAQPCRUABHWEFP-UHFFFAOYSA-N
XLogP4.68
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.60
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutan-2-yl)-5-phenyl-2-[4-(propan-2-yloxymethyl)pyrrolidin-2-yl]piperidine?
The IUPAC name of 1-(3-methylbutan-2-yl)-5-phenyl-2-[4-(propan-2-yloxymethyl)pyrrolidin-2-yl]piperidine (CID 138545728) is 1-(3-methylbutan-2-yl)-5-phenyl-2-[4-(propan-2-yloxymethyl)pyrrolidin-2-yl]piperidine.
What is the SMILES notation for 1-(3-methylbutan-2-yl)-5-phenyl-2-[4-(propan-2-yloxymethyl)pyrrolidin-2-yl]piperidine?
The canonical SMILES for 1-(3-methylbutan-2-yl)-5-phenyl-2-[4-(propan-2-yloxymethyl)pyrrolidin-2-yl]piperidine is CC(C)OCC1CNC(C2CCC(c3ccccc3)CN2C(C)C(C)C)C1.
What is the InChIKey of 1-(3-methylbutan-2-yl)-5-phenyl-2-[4-(propan-2-yloxymethyl)pyrrolidin-2-yl]piperidine?
The InChIKey is AAQPCRUABHWEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N2O/c1-17(2)19(5)26-15-22(21-9-7-6-8-10-21)11-12-24(26)23-13-20(14-25-23)16-27-18(3)4/h6-10,17-20,22-25H,11-16H2,1-5H3.
What are the key properties of 1-(3-methylbutan-2-yl)-5-phenyl-2-[4-(propan-2-yloxymethyl)pyrrolidin-2-yl]piperidine?
1-(3-methylbutan-2-yl)-5-phenyl-2-[4-(propan-2-yloxymethyl)pyrrolidin-2-yl]piperidine has a molecular weight of 372.60 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutan-2-yl)-5-phenyl-2-[4-(propan-2-yloxymethyl)pyrrolidin-2-yl]piperidine is sourced from PubChem (CID 138545728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).