1-[4-[2-(chloromethyl)cyclopropyl]piperidin-1-yl]ethanone

C11H18ClNO — CID 130138154

IUPAC1-[4-[2-(chloromethyl)cyclopropyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C2CC2CCl)CC1
InChIInChI=1S/C11H18ClNO/c1-8(14)13-4-2-9(3-5-13)11-6-10(11)7-12/h9-11H,2-7H2,1H3
InChIKeyIVTHPNRSPVOOHO-UHFFFAOYSA-N
MW215.72 g/mol
LogP2.12
Rot. Bonds2

About 1-[4-[2-(chloromethyl)cyclopropyl]piperidin-1-yl]ethanone

1-[4-[2-(chloromethyl)cyclopropyl]piperidin-1-yl]ethanone (PubChem CID 130138154) has the molecular formula C11H18ClNO and a molecular weight of 215.72 g/mol. Its IUPAC name is 1-[4-[2-(chloromethyl)cyclopropyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(chloromethyl)cyclopropyl]piperidin-1-yl]ethanone
PubChem CID130138154
Molecular FormulaC11H18ClNO
Molecular Weight215.72 g/mol
Exact Mass215.11
IUPAC Name1-[4-[2-(chloromethyl)cyclopropyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C2CC2CCl)CC1
InChIInChI=1S/C11H18ClNO/c1-8(14)13-4-2-9(3-5-13)11-6-10(11)7-12/h9-11H,2-7H2,1H3
InChIKeyIVTHPNRSPVOOHO-UHFFFAOYSA-N
XLogP2.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.72
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[4-[2-(chloromethyl)cyclopropyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(chloromethyl)cyclopropyl]piperidin-1-yl]ethanone (CID 130138154) is 1-[4-[2-(chloromethyl)cyclopropyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(chloromethyl)cyclopropyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(chloromethyl)cyclopropyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(C2CC2CCl)CC1.
What is the InChIKey of 1-[4-[2-(chloromethyl)cyclopropyl]piperidin-1-yl]ethanone?
The InChIKey is IVTHPNRSPVOOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNO/c1-8(14)13-4-2-9(3-5-13)11-6-10(11)7-12/h9-11H,2-7H2,1H3.
What are the key properties of 1-[4-[2-(chloromethyl)cyclopropyl]piperidin-1-yl]ethanone?
1-[4-[2-(chloromethyl)cyclopropyl]piperidin-1-yl]ethanone has a molecular weight of 215.72 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(chloromethyl)cyclopropyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 130138154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).