3-(2-chloroethyl)-1-(oxolan-2-ylmethyl)piperidine

C12H22ClNO — CID 63388800

IUPAC3-(2-chloroethyl)-1-(oxolan-2-ylmethyl)piperidine
SMILESClCCC1CCCN(CC2CCCO2)C1
InChIInChI=1S/C12H22ClNO/c13-6-5-11-3-1-7-14(9-11)10-12-4-2-8-15-12/h11-12H,1-10H2
InChIKeyAWOQAMVJDBHCHN-UHFFFAOYSA-N
MW231.77 g/mol
LogP2.51
Rot. Bonds4

About 3-(2-chloroethyl)-1-(oxolan-2-ylmethyl)piperidine

3-(2-chloroethyl)-1-(oxolan-2-ylmethyl)piperidine (PubChem CID 63388800) has the molecular formula C12H22ClNO and a molecular weight of 231.77 g/mol. Its IUPAC name is 3-(2-chloroethyl)-1-(oxolan-2-ylmethyl)piperidine.

Molecular Properties

Compound Name3-(2-chloroethyl)-1-(oxolan-2-ylmethyl)piperidine
PubChem CID63388800
Molecular FormulaC12H22ClNO
Molecular Weight231.77 g/mol
Exact Mass231.14
IUPAC Name3-(2-chloroethyl)-1-(oxolan-2-ylmethyl)piperidine
SMILESClCCC1CCCN(CC2CCCO2)C1
InChIInChI=1S/C12H22ClNO/c13-6-5-11-3-1-7-14(9-11)10-12-4-2-8-15-12/h11-12H,1-10H2
InChIKeyAWOQAMVJDBHCHN-UHFFFAOYSA-N
XLogP2.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.77
LogP ≤ 52.51
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 3-(2-chloroethyl)-1-(oxolan-2-ylmethyl)piperidine?
The IUPAC name of 3-(2-chloroethyl)-1-(oxolan-2-ylmethyl)piperidine (CID 63388800) is 3-(2-chloroethyl)-1-(oxolan-2-ylmethyl)piperidine.
What is the SMILES notation for 3-(2-chloroethyl)-1-(oxolan-2-ylmethyl)piperidine?
The canonical SMILES for 3-(2-chloroethyl)-1-(oxolan-2-ylmethyl)piperidine is ClCCC1CCCN(CC2CCCO2)C1.
What is the InChIKey of 3-(2-chloroethyl)-1-(oxolan-2-ylmethyl)piperidine?
The InChIKey is AWOQAMVJDBHCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClNO/c13-6-5-11-3-1-7-14(9-11)10-12-4-2-8-15-12/h11-12H,1-10H2.
What are the key properties of 3-(2-chloroethyl)-1-(oxolan-2-ylmethyl)piperidine?
3-(2-chloroethyl)-1-(oxolan-2-ylmethyl)piperidine has a molecular weight of 231.77 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroethyl)-1-(oxolan-2-ylmethyl)piperidine is sourced from PubChem (CID 63388800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).