4-[(4-methyl-3H-pyrrol-2-yl)methyl]piperidine

C11H18N2 — CID 138631842

IUPAC4-[(4-methyl-3H-pyrrol-2-yl)methyl]piperidine
SMILESCC1=CN=C(CC2CCNCC2)C1
InChIInChI=1S/C11H18N2/c1-9-6-11(13-8-9)7-10-2-4-12-5-3-10/h8,10,12H,2-7H2,1H3
InChIKeyBBOIHIQXEWYBEY-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.12
Rot. Bonds2

About 4-[(4-methyl-3H-pyrrol-2-yl)methyl]piperidine

4-[(4-methyl-3H-pyrrol-2-yl)methyl]piperidine (PubChem CID 138631842) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 4-[(4-methyl-3H-pyrrol-2-yl)methyl]piperidine.

Molecular Properties

Compound Name4-[(4-methyl-3H-pyrrol-2-yl)methyl]piperidine
PubChem CID138631842
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name4-[(4-methyl-3H-pyrrol-2-yl)methyl]piperidine
SMILESCC1=CN=C(CC2CCNCC2)C1
InChIInChI=1S/C11H18N2/c1-9-6-11(13-8-9)7-10-2-4-12-5-3-10/h8,10,12H,2-7H2,1H3
InChIKeyBBOIHIQXEWYBEY-UHFFFAOYSA-N
XLogP2.12
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-3H-pyrrol-2-yl)methyl]piperidine?
The IUPAC name of 4-[(4-methyl-3H-pyrrol-2-yl)methyl]piperidine (CID 138631842) is 4-[(4-methyl-3H-pyrrol-2-yl)methyl]piperidine.
What is the SMILES notation for 4-[(4-methyl-3H-pyrrol-2-yl)methyl]piperidine?
The canonical SMILES for 4-[(4-methyl-3H-pyrrol-2-yl)methyl]piperidine is CC1=CN=C(CC2CCNCC2)C1.
What is the InChIKey of 4-[(4-methyl-3H-pyrrol-2-yl)methyl]piperidine?
The InChIKey is BBOIHIQXEWYBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-9-6-11(13-8-9)7-10-2-4-12-5-3-10/h8,10,12H,2-7H2,1H3.
What are the key properties of 4-[(4-methyl-3H-pyrrol-2-yl)methyl]piperidine?
4-[(4-methyl-3H-pyrrol-2-yl)methyl]piperidine has a molecular weight of 178.28 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-3H-pyrrol-2-yl)methyl]piperidine is sourced from PubChem (CID 138631842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).