1-[2-(1,4-dimethyl-2,5-dihydropyrrol-3-yl)ethyl]-3,4-dimethylpiperidine

C15H28N2 — CID 155346437

IUPAC1-[2-(1,4-dimethyl-2,5-dihydropyrrol-3-yl)ethyl]-3,4-dimethylpiperidine
SMILESCC1=C(CCN2CCC(C)C(C)C2)CN(C)C1
InChIInChI=1S/C15H28N2/c1-12-5-7-17(10-13(12)2)8-6-15-11-16(4)9-14(15)3/h12-13H,5-11H2,1-4H3
InChIKeyWIKHGANQWQBMHI-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.62
Rot. Bonds3

About 1-[2-(1,4-dimethyl-2,5-dihydropyrrol-3-yl)ethyl]-3,4-dimethylpiperidine

1-[2-(1,4-dimethyl-2,5-dihydropyrrol-3-yl)ethyl]-3,4-dimethylpiperidine (PubChem CID 155346437) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 1-[2-(1,4-dimethyl-2,5-dihydropyrrol-3-yl)ethyl]-3,4-dimethylpiperidine.

Molecular Properties

Compound Name1-[2-(1,4-dimethyl-2,5-dihydropyrrol-3-yl)ethyl]-3,4-dimethylpiperidine
PubChem CID155346437
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name1-[2-(1,4-dimethyl-2,5-dihydropyrrol-3-yl)ethyl]-3,4-dimethylpiperidine
SMILESCC1=C(CCN2CCC(C)C(C)C2)CN(C)C1
InChIInChI=1S/C15H28N2/c1-12-5-7-17(10-13(12)2)8-6-15-11-16(4)9-14(15)3/h12-13H,5-11H2,1-4H3
InChIKeyWIKHGANQWQBMHI-UHFFFAOYSA-N
XLogP2.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,4-dimethyl-2,5-dihydropyrrol-3-yl)ethyl]-3,4-dimethylpiperidine?
The IUPAC name of 1-[2-(1,4-dimethyl-2,5-dihydropyrrol-3-yl)ethyl]-3,4-dimethylpiperidine (CID 155346437) is 1-[2-(1,4-dimethyl-2,5-dihydropyrrol-3-yl)ethyl]-3,4-dimethylpiperidine.
What is the SMILES notation for 1-[2-(1,4-dimethyl-2,5-dihydropyrrol-3-yl)ethyl]-3,4-dimethylpiperidine?
The canonical SMILES for 1-[2-(1,4-dimethyl-2,5-dihydropyrrol-3-yl)ethyl]-3,4-dimethylpiperidine is CC1=C(CCN2CCC(C)C(C)C2)CN(C)C1.
What is the InChIKey of 1-[2-(1,4-dimethyl-2,5-dihydropyrrol-3-yl)ethyl]-3,4-dimethylpiperidine?
The InChIKey is WIKHGANQWQBMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-12-5-7-17(10-13(12)2)8-6-15-11-16(4)9-14(15)3/h12-13H,5-11H2,1-4H3.
What are the key properties of 1-[2-(1,4-dimethyl-2,5-dihydropyrrol-3-yl)ethyl]-3,4-dimethylpiperidine?
1-[2-(1,4-dimethyl-2,5-dihydropyrrol-3-yl)ethyl]-3,4-dimethylpiperidine has a molecular weight of 236.40 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,4-dimethyl-2,5-dihydropyrrol-3-yl)ethyl]-3,4-dimethylpiperidine is sourced from PubChem (CID 155346437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).