1-[(4-methoxypyrrolidin-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidine

C16H31N3O — CID 63008682

IUPAC1-[(4-methoxypyrrolidin-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidine
SMILESCOC1CNC(CN2CCC(CN3CCCC3)CC2)C1
InChIInChI=1S/C16H31N3O/c1-20-16-10-15(17-11-16)13-19-8-4-14(5-9-19)12-18-6-2-3-7-18/h14-17H,2-13H2,1H3
InChIKeyFFYSGMUYCKKXEJ-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.17
Rot. Bonds5

About 1-[(4-methoxypyrrolidin-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidine

1-[(4-methoxypyrrolidin-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidine (PubChem CID 63008682) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-[(4-methoxypyrrolidin-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidine.

Molecular Properties

Compound Name1-[(4-methoxypyrrolidin-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidine
PubChem CID63008682
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name1-[(4-methoxypyrrolidin-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidine
SMILESCOC1CNC(CN2CCC(CN3CCCC3)CC2)C1
InChIInChI=1S/C16H31N3O/c1-20-16-10-15(17-11-16)13-19-8-4-14(5-9-19)12-18-6-2-3-7-18/h14-17H,2-13H2,1H3
InChIKeyFFYSGMUYCKKXEJ-UHFFFAOYSA-N
XLogP1.17
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxypyrrolidin-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidine?
The IUPAC name of 1-[(4-methoxypyrrolidin-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidine (CID 63008682) is 1-[(4-methoxypyrrolidin-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidine.
What is the SMILES notation for 1-[(4-methoxypyrrolidin-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidine?
The canonical SMILES for 1-[(4-methoxypyrrolidin-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidine is COC1CNC(CN2CCC(CN3CCCC3)CC2)C1.
What is the InChIKey of 1-[(4-methoxypyrrolidin-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidine?
The InChIKey is FFYSGMUYCKKXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-20-16-10-15(17-11-16)13-19-8-4-14(5-9-19)12-18-6-2-3-7-18/h14-17H,2-13H2,1H3.
What are the key properties of 1-[(4-methoxypyrrolidin-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidine?
1-[(4-methoxypyrrolidin-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidine has a molecular weight of 281.44 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxypyrrolidin-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidine is sourced from PubChem (CID 63008682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).