2-butyl-1,2-diethyl-3-pyrrolidin-1-ylpiperidine;4-(1,2,2-triethylpiperidin-3-yl)morpholine

C32H64N4O — CID 143543041

IUPAC2-butyl-1,2-diethyl-3-pyrrolidin-1-ylpiperidine;4-(1,2,2-triethylpiperidin-3-yl)morpholine
SMILESCCCCC1(CC)C(N2CCCC2)CCCN1CC.CCN1CCCC(N2CCOCC2)C1(CC)CC
InChIInChI=1S/C17H34N2.C15H30N2O/c1-4-7-12-17(5-2)16(18-13-8-9-14-18)11-10-15-19(17)6-3;1-4-15(5-2)14(8-7-9-17(15)6-3)16-10-12-18-13-11-16/h16H,4-15H2,1-3H3;14H,4-13H2,1-3H3
InChIKeyWJKOMVMWHWIWSL-UHFFFAOYSA-N
MW520.89 g/mol
LogP6.27
Rot. Bonds10

About 2-butyl-1,2-diethyl-3-pyrrolidin-1-ylpiperidine;4-(1,2,2-triethylpiperidin-3-yl)morpholine

2-butyl-1,2-diethyl-3-pyrrolidin-1-ylpiperidine;4-(1,2,2-triethylpiperidin-3-yl)morpholine (PubChem CID 143543041) has the molecular formula C32H64N4O and a molecular weight of 520.89 g/mol. Its IUPAC name is 2-butyl-1,2-diethyl-3-pyrrolidin-1-ylpiperidine;4-(1,2,2-triethylpiperidin-3-yl)morpholine.

Molecular Properties

Compound Name2-butyl-1,2-diethyl-3-pyrrolidin-1-ylpiperidine;4-(1,2,2-triethylpiperidin-3-yl)morpholine
PubChem CID143543041
Molecular FormulaC32H64N4O
Molecular Weight520.89 g/mol
Exact Mass520.51
IUPAC Name2-butyl-1,2-diethyl-3-pyrrolidin-1-ylpiperidine;4-(1,2,2-triethylpiperidin-3-yl)morpholine
SMILESCCCCC1(CC)C(N2CCCC2)CCCN1CC.CCN1CCCC(N2CCOCC2)C1(CC)CC
InChIInChI=1S/C17H34N2.C15H30N2O/c1-4-7-12-17(5-2)16(18-13-8-9-14-18)11-10-15-19(17)6-3;1-4-15(5-2)14(8-7-9-17(15)6-3)16-10-12-18-13-11-16/h16H,4-15H2,1-3H3;14H,4-13H2,1-3H3
InChIKeyWJKOMVMWHWIWSL-UHFFFAOYSA-N
XLogP6.27
TPSA22.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.89
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-1,2-diethyl-3-pyrrolidin-1-ylpiperidine;4-(1,2,2-triethylpiperidin-3-yl)morpholine?
The IUPAC name of 2-butyl-1,2-diethyl-3-pyrrolidin-1-ylpiperidine;4-(1,2,2-triethylpiperidin-3-yl)morpholine (CID 143543041) is 2-butyl-1,2-diethyl-3-pyrrolidin-1-ylpiperidine;4-(1,2,2-triethylpiperidin-3-yl)morpholine.
What is the SMILES notation for 2-butyl-1,2-diethyl-3-pyrrolidin-1-ylpiperidine;4-(1,2,2-triethylpiperidin-3-yl)morpholine?
The canonical SMILES for 2-butyl-1,2-diethyl-3-pyrrolidin-1-ylpiperidine;4-(1,2,2-triethylpiperidin-3-yl)morpholine is CCCCC1(CC)C(N2CCCC2)CCCN1CC.CCN1CCCC(N2CCOCC2)C1(CC)CC.
What is the InChIKey of 2-butyl-1,2-diethyl-3-pyrrolidin-1-ylpiperidine;4-(1,2,2-triethylpiperidin-3-yl)morpholine?
The InChIKey is WJKOMVMWHWIWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2.C15H30N2O/c1-4-7-12-17(5-2)16(18-13-8-9-14-18)11-10-15-19(17)6-3;1-4-15(5-2)14(8-7-9-17(15)6-3)16-10-12-18-13-11-16/h16H,4-15H2,1-3H3;14H,4-13H2,1-3H3.
What are the key properties of 2-butyl-1,2-diethyl-3-pyrrolidin-1-ylpiperidine;4-(1,2,2-triethylpiperidin-3-yl)morpholine?
2-butyl-1,2-diethyl-3-pyrrolidin-1-ylpiperidine;4-(1,2,2-triethylpiperidin-3-yl)morpholine has a molecular weight of 520.89 g/mol, XLogP of 6.27, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1,2-diethyl-3-pyrrolidin-1-ylpiperidine;4-(1,2,2-triethylpiperidin-3-yl)morpholine is sourced from PubChem (CID 143543041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).