4-(chloromethyl)-1-(2-piperidin-1-ylethyl)pyrrolidin-2-one

C12H21ClN2O — CID 168508249

IUPAC4-(chloromethyl)-1-(2-piperidin-1-ylethyl)pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1CCN1CCCCC1
InChIInChI=1S/C12H21ClN2O/c13-9-11-8-12(16)15(10-11)7-6-14-4-2-1-3-5-14/h11H,1-10H2
InChIKeyLINZNWSJOUIOLJ-UHFFFAOYSA-N
MW244.77 g/mol
LogP1.56
Rot. Bonds4

About 4-(chloromethyl)-1-(2-piperidin-1-ylethyl)pyrrolidin-2-one

4-(chloromethyl)-1-(2-piperidin-1-ylethyl)pyrrolidin-2-one (PubChem CID 168508249) has the molecular formula C12H21ClN2O and a molecular weight of 244.77 g/mol. Its IUPAC name is 4-(chloromethyl)-1-(2-piperidin-1-ylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(chloromethyl)-1-(2-piperidin-1-ylethyl)pyrrolidin-2-one
PubChem CID168508249
Molecular FormulaC12H21ClN2O
Molecular Weight244.77 g/mol
Exact Mass244.13
IUPAC Name4-(chloromethyl)-1-(2-piperidin-1-ylethyl)pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1CCN1CCCCC1
InChIInChI=1S/C12H21ClN2O/c13-9-11-8-12(16)15(10-11)7-6-14-4-2-1-3-5-14/h11H,1-10H2
InChIKeyLINZNWSJOUIOLJ-UHFFFAOYSA-N
XLogP1.56
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.77
LogP ≤ 51.56
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 4-(chloromethyl)-1-(2-piperidin-1-ylethyl)pyrrolidin-2-one?
The IUPAC name of 4-(chloromethyl)-1-(2-piperidin-1-ylethyl)pyrrolidin-2-one (CID 168508249) is 4-(chloromethyl)-1-(2-piperidin-1-ylethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(chloromethyl)-1-(2-piperidin-1-ylethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(chloromethyl)-1-(2-piperidin-1-ylethyl)pyrrolidin-2-one is O=C1CC(CCl)CN1CCN1CCCCC1.
What is the InChIKey of 4-(chloromethyl)-1-(2-piperidin-1-ylethyl)pyrrolidin-2-one?
The InChIKey is LINZNWSJOUIOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN2O/c13-9-11-8-12(16)15(10-11)7-6-14-4-2-1-3-5-14/h11H,1-10H2.
What are the key properties of 4-(chloromethyl)-1-(2-piperidin-1-ylethyl)pyrrolidin-2-one?
4-(chloromethyl)-1-(2-piperidin-1-ylethyl)pyrrolidin-2-one has a molecular weight of 244.77 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-(2-piperidin-1-ylethyl)pyrrolidin-2-one is sourced from PubChem (CID 168508249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).