1-propan-2-yl-4-(2-pyrrolidin-2-ylpiperidin-1-yl)piperidine

C17H33N3 — CID 63256484

IUPAC1-propan-2-yl-4-(2-pyrrolidin-2-ylpiperidin-1-yl)piperidine
SMILESCC(C)N1CCC(N2CCCCC2C2CCCN2)CC1
InChIInChI=1S/C17H33N3/c1-14(2)19-12-8-15(9-13-19)20-11-4-3-7-17(20)16-6-5-10-18-16/h14-18H,3-13H2,1-2H3
InChIKeyRRUOGKNKJAZHPI-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.47
Rot. Bonds3

About 1-propan-2-yl-4-(2-pyrrolidin-2-ylpiperidin-1-yl)piperidine

1-propan-2-yl-4-(2-pyrrolidin-2-ylpiperidin-1-yl)piperidine (PubChem CID 63256484) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 1-propan-2-yl-4-(2-pyrrolidin-2-ylpiperidin-1-yl)piperidine.

Molecular Properties

Compound Name1-propan-2-yl-4-(2-pyrrolidin-2-ylpiperidin-1-yl)piperidine
PubChem CID63256484
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name1-propan-2-yl-4-(2-pyrrolidin-2-ylpiperidin-1-yl)piperidine
SMILESCC(C)N1CCC(N2CCCCC2C2CCCN2)CC1
InChIInChI=1S/C17H33N3/c1-14(2)19-12-8-15(9-13-19)20-11-4-3-7-17(20)16-6-5-10-18-16/h14-18H,3-13H2,1-2H3
InChIKeyRRUOGKNKJAZHPI-UHFFFAOYSA-N
XLogP2.47
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-(2-pyrrolidin-2-ylpiperidin-1-yl)piperidine?
The IUPAC name of 1-propan-2-yl-4-(2-pyrrolidin-2-ylpiperidin-1-yl)piperidine (CID 63256484) is 1-propan-2-yl-4-(2-pyrrolidin-2-ylpiperidin-1-yl)piperidine.
What is the SMILES notation for 1-propan-2-yl-4-(2-pyrrolidin-2-ylpiperidin-1-yl)piperidine?
The canonical SMILES for 1-propan-2-yl-4-(2-pyrrolidin-2-ylpiperidin-1-yl)piperidine is CC(C)N1CCC(N2CCCCC2C2CCCN2)CC1.
What is the InChIKey of 1-propan-2-yl-4-(2-pyrrolidin-2-ylpiperidin-1-yl)piperidine?
The InChIKey is RRUOGKNKJAZHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-14(2)19-12-8-15(9-13-19)20-11-4-3-7-17(20)16-6-5-10-18-16/h14-18H,3-13H2,1-2H3.
What are the key properties of 1-propan-2-yl-4-(2-pyrrolidin-2-ylpiperidin-1-yl)piperidine?
1-propan-2-yl-4-(2-pyrrolidin-2-ylpiperidin-1-yl)piperidine has a molecular weight of 279.47 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-(2-pyrrolidin-2-ylpiperidin-1-yl)piperidine is sourced from PubChem (CID 63256484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).