4-[(3-propan-2-yloxypyrrolidin-1-yl)methyl]piperidine

C13H26N2O — CID 165136671

IUPAC4-[(3-propan-2-yloxypyrrolidin-1-yl)methyl]piperidine
SMILESCC(C)OC1CCN(CC2CCNCC2)C1
InChIInChI=1S/C13H26N2O/c1-11(2)16-13-5-8-15(10-13)9-12-3-6-14-7-4-12/h11-14H,3-10H2,1-2H3
InChIKeyYNBWZKAGXFNCSI-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.49
Rot. Bonds4

About 4-[(3-propan-2-yloxypyrrolidin-1-yl)methyl]piperidine

4-[(3-propan-2-yloxypyrrolidin-1-yl)methyl]piperidine (PubChem CID 165136671) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 4-[(3-propan-2-yloxypyrrolidin-1-yl)methyl]piperidine.

Molecular Properties

Compound Name4-[(3-propan-2-yloxypyrrolidin-1-yl)methyl]piperidine
PubChem CID165136671
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name4-[(3-propan-2-yloxypyrrolidin-1-yl)methyl]piperidine
SMILESCC(C)OC1CCN(CC2CCNCC2)C1
InChIInChI=1S/C13H26N2O/c1-11(2)16-13-5-8-15(10-13)9-12-3-6-14-7-4-12/h11-14H,3-10H2,1-2H3
InChIKeyYNBWZKAGXFNCSI-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-propan-2-yloxypyrrolidin-1-yl)methyl]piperidine?
The IUPAC name of 4-[(3-propan-2-yloxypyrrolidin-1-yl)methyl]piperidine (CID 165136671) is 4-[(3-propan-2-yloxypyrrolidin-1-yl)methyl]piperidine.
What is the SMILES notation for 4-[(3-propan-2-yloxypyrrolidin-1-yl)methyl]piperidine?
The canonical SMILES for 4-[(3-propan-2-yloxypyrrolidin-1-yl)methyl]piperidine is CC(C)OC1CCN(CC2CCNCC2)C1.
What is the InChIKey of 4-[(3-propan-2-yloxypyrrolidin-1-yl)methyl]piperidine?
The InChIKey is YNBWZKAGXFNCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11(2)16-13-5-8-15(10-13)9-12-3-6-14-7-4-12/h11-14H,3-10H2,1-2H3.
What are the key properties of 4-[(3-propan-2-yloxypyrrolidin-1-yl)methyl]piperidine?
4-[(3-propan-2-yloxypyrrolidin-1-yl)methyl]piperidine has a molecular weight of 226.36 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-propan-2-yloxypyrrolidin-1-yl)methyl]piperidine is sourced from PubChem (CID 165136671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).