4-[[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]triazol-1-yl]methyl]piperidine

C15H27N5O — CID 30897697

IUPAC4-[[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]triazol-1-yl]methyl]piperidine
SMILESCOC[C@H]1CCCN1Cc1cn(CC2CCNCC2)nn1
InChIInChI=1S/C15H27N5O/c1-21-12-15-3-2-8-19(15)10-14-11-20(18-17-14)9-13-4-6-16-7-5-13/h11,13,15-16H,2-10,12H2,1H3/t15-/m1/s1
InChIKeyMSYWGAZYHBQZTE-OAHLLOKOSA-N
MW293.41 g/mol
LogP0.89
Rot. Bonds6

About 4-[[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]triazol-1-yl]methyl]piperidine

4-[[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]triazol-1-yl]methyl]piperidine (PubChem CID 30897697) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-[[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]triazol-1-yl]methyl]piperidine.

Molecular Properties

Compound Name4-[[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]triazol-1-yl]methyl]piperidine
PubChem CID30897697
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC Name4-[[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]triazol-1-yl]methyl]piperidine
SMILESCOC[C@H]1CCCN1Cc1cn(CC2CCNCC2)nn1
InChIInChI=1S/C15H27N5O/c1-21-12-15-3-2-8-19(15)10-14-11-20(18-17-14)9-13-4-6-16-7-5-13/h11,13,15-16H,2-10,12H2,1H3/t15-/m1/s1
InChIKeyMSYWGAZYHBQZTE-OAHLLOKOSA-N
XLogP0.89
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]triazol-1-yl]methyl]piperidine?
The IUPAC name of 4-[[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]triazol-1-yl]methyl]piperidine (CID 30897697) is 4-[[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]triazol-1-yl]methyl]piperidine.
What is the SMILES notation for 4-[[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]triazol-1-yl]methyl]piperidine?
The canonical SMILES for 4-[[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]triazol-1-yl]methyl]piperidine is COC[C@H]1CCCN1Cc1cn(CC2CCNCC2)nn1.
What is the InChIKey of 4-[[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]triazol-1-yl]methyl]piperidine?
The InChIKey is MSYWGAZYHBQZTE-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H27N5O/c1-21-12-15-3-2-8-19(15)10-14-11-20(18-17-14)9-13-4-6-16-7-5-13/h11,13,15-16H,2-10,12H2,1H3/t15-/m1/s1.
What are the key properties of 4-[[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]triazol-1-yl]methyl]piperidine?
4-[[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]triazol-1-yl]methyl]piperidine has a molecular weight of 293.41 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]triazol-1-yl]methyl]piperidine is sourced from PubChem (CID 30897697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).