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

C11H17ClN2 — CID 146544681

IUPAC1-[5-(chloromethyl)-3-methyl-3H-pyrrol-2-yl]piperidine
SMILESCC1C=C(CCl)N=C1N1CCCCC1
InChIInChI=1S/C11H17ClN2/c1-9-7-10(8-12)13-11(9)14-5-3-2-4-6-14/h7,9H,2-6,8H2,1H3
InChIKeyKGFDKNBEQZGXJJ-UHFFFAOYSA-N
MW212.72 g/mol
LogP2.64
Rot. Bonds1

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

1-[5-(chloromethyl)-3-methyl-3H-pyrrol-2-yl]piperidine (PubChem CID 146544681) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is 1-[5-(chloromethyl)-3-methyl-3H-pyrrol-2-yl]piperidine.

Molecular Properties

Compound Name1-[5-(chloromethyl)-3-methyl-3H-pyrrol-2-yl]piperidine
PubChem CID146544681
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC Name1-[5-(chloromethyl)-3-methyl-3H-pyrrol-2-yl]piperidine
SMILESCC1C=C(CCl)N=C1N1CCCCC1
InChIInChI=1S/C11H17ClN2/c1-9-7-10(8-12)13-11(9)14-5-3-2-4-6-14/h7,9H,2-6,8H2,1H3
InChIKeyKGFDKNBEQZGXJJ-UHFFFAOYSA-N
XLogP2.64
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(chloromethyl)-3-methyl-3H-pyrrol-2-yl]piperidine?
The IUPAC name of 1-[5-(chloromethyl)-3-methyl-3H-pyrrol-2-yl]piperidine (CID 146544681) is 1-[5-(chloromethyl)-3-methyl-3H-pyrrol-2-yl]piperidine.
What is the SMILES notation for 1-[5-(chloromethyl)-3-methyl-3H-pyrrol-2-yl]piperidine?
The canonical SMILES for 1-[5-(chloromethyl)-3-methyl-3H-pyrrol-2-yl]piperidine is CC1C=C(CCl)N=C1N1CCCCC1.
What is the InChIKey of 1-[5-(chloromethyl)-3-methyl-3H-pyrrol-2-yl]piperidine?
The InChIKey is KGFDKNBEQZGXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2/c1-9-7-10(8-12)13-11(9)14-5-3-2-4-6-14/h7,9H,2-6,8H2,1H3.
What are the key properties of 1-[5-(chloromethyl)-3-methyl-3H-pyrrol-2-yl]piperidine?
1-[5-(chloromethyl)-3-methyl-3H-pyrrol-2-yl]piperidine has a molecular weight of 212.72 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(chloromethyl)-3-methyl-3H-pyrrol-2-yl]piperidine is sourced from PubChem (CID 146544681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).