1-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methyl]piperidine

C14H26N2 — CID 10656685

IUPAC1-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methyl]piperidine
SMILESCC1(C)C=C(CN2CCCCC2)C(C)(C)N1
InChIInChI=1S/C14H26N2/c1-13(2)10-12(14(3,4)15-13)11-16-8-6-5-7-9-16/h10,15H,5-9,11H2,1-4H3
InChIKeyZCISJAPIWHPLTD-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.56
Rot. Bonds2

About 1-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methyl]piperidine

1-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methyl]piperidine (PubChem CID 10656685) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 1-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methyl]piperidine.

Molecular Properties

Compound Name1-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methyl]piperidine
PubChem CID10656685
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name1-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methyl]piperidine
SMILESCC1(C)C=C(CN2CCCCC2)C(C)(C)N1
InChIInChI=1S/C14H26N2/c1-13(2)10-12(14(3,4)15-13)11-16-8-6-5-7-9-16/h10,15H,5-9,11H2,1-4H3
InChIKeyZCISJAPIWHPLTD-UHFFFAOYSA-N
XLogP2.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
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-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methyl]piperidine?
The IUPAC name of 1-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methyl]piperidine (CID 10656685) is 1-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methyl]piperidine.
What is the SMILES notation for 1-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methyl]piperidine?
The canonical SMILES for 1-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methyl]piperidine is CC1(C)C=C(CN2CCCCC2)C(C)(C)N1.
What is the InChIKey of 1-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methyl]piperidine?
The InChIKey is ZCISJAPIWHPLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-13(2)10-12(14(3,4)15-13)11-16-8-6-5-7-9-16/h10,15H,5-9,11H2,1-4H3.
What are the key properties of 1-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methyl]piperidine?
1-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methyl]piperidine has a molecular weight of 222.38 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methyl]piperidine is sourced from PubChem (CID 10656685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).