2-methyl-3-[(1-methyl-5-propyl-2,3-dihydropyrrol-4-yl)methyl]piperidine

C15H28N2 — CID 90843847

IUPAC2-methyl-3-[(1-methyl-5-propyl-2,3-dihydropyrrol-4-yl)methyl]piperidine
SMILESCCCC1=C(CC2CCCNC2C)CCN1C
InChIInChI=1S/C15H28N2/c1-4-6-15-14(8-10-17(15)3)11-13-7-5-9-16-12(13)2/h12-13,16H,4-11H2,1-3H3
InChIKeyGPTGUSSITFPQAZ-UHFFFAOYSA-N
MW236.40 g/mol
LogP3.15
Rot. Bonds4

About 2-methyl-3-[(1-methyl-5-propyl-2,3-dihydropyrrol-4-yl)methyl]piperidine

2-methyl-3-[(1-methyl-5-propyl-2,3-dihydropyrrol-4-yl)methyl]piperidine (PubChem CID 90843847) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 2-methyl-3-[(1-methyl-5-propyl-2,3-dihydropyrrol-4-yl)methyl]piperidine.

Molecular Properties

Compound Name2-methyl-3-[(1-methyl-5-propyl-2,3-dihydropyrrol-4-yl)methyl]piperidine
PubChem CID90843847
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name2-methyl-3-[(1-methyl-5-propyl-2,3-dihydropyrrol-4-yl)methyl]piperidine
SMILESCCCC1=C(CC2CCCNC2C)CCN1C
InChIInChI=1S/C15H28N2/c1-4-6-15-14(8-10-17(15)3)11-13-7-5-9-16-12(13)2/h12-13,16H,4-11H2,1-3H3
InChIKeyGPTGUSSITFPQAZ-UHFFFAOYSA-N
XLogP3.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(1-methyl-5-propyl-2,3-dihydropyrrol-4-yl)methyl]piperidine?
The IUPAC name of 2-methyl-3-[(1-methyl-5-propyl-2,3-dihydropyrrol-4-yl)methyl]piperidine (CID 90843847) is 2-methyl-3-[(1-methyl-5-propyl-2,3-dihydropyrrol-4-yl)methyl]piperidine.
What is the SMILES notation for 2-methyl-3-[(1-methyl-5-propyl-2,3-dihydropyrrol-4-yl)methyl]piperidine?
The canonical SMILES for 2-methyl-3-[(1-methyl-5-propyl-2,3-dihydropyrrol-4-yl)methyl]piperidine is CCCC1=C(CC2CCCNC2C)CCN1C.
What is the InChIKey of 2-methyl-3-[(1-methyl-5-propyl-2,3-dihydropyrrol-4-yl)methyl]piperidine?
The InChIKey is GPTGUSSITFPQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-4-6-15-14(8-10-17(15)3)11-13-7-5-9-16-12(13)2/h12-13,16H,4-11H2,1-3H3.
What are the key properties of 2-methyl-3-[(1-methyl-5-propyl-2,3-dihydropyrrol-4-yl)methyl]piperidine?
2-methyl-3-[(1-methyl-5-propyl-2,3-dihydropyrrol-4-yl)methyl]piperidine has a molecular weight of 236.40 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(1-methyl-5-propyl-2,3-dihydropyrrol-4-yl)methyl]piperidine is sourced from PubChem (CID 90843847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).