4-(chloromethyl)-1-(oxolan-2-ylmethyl)piperidine

C11H20ClNO — CID 63387612

IUPAC4-(chloromethyl)-1-(oxolan-2-ylmethyl)piperidine
SMILESClCC1CCN(CC2CCCO2)CC1
InChIInChI=1S/C11H20ClNO/c12-8-10-3-5-13(6-4-10)9-11-2-1-7-14-11/h10-11H,1-9H2
InChIKeySXJKVZAXDBOREZ-UHFFFAOYSA-N
MW217.74 g/mol
LogP2.12
Rot. Bonds3

About 4-(chloromethyl)-1-(oxolan-2-ylmethyl)piperidine

4-(chloromethyl)-1-(oxolan-2-ylmethyl)piperidine (PubChem CID 63387612) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is 4-(chloromethyl)-1-(oxolan-2-ylmethyl)piperidine.

Molecular Properties

Compound Name4-(chloromethyl)-1-(oxolan-2-ylmethyl)piperidine
PubChem CID63387612
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC Name4-(chloromethyl)-1-(oxolan-2-ylmethyl)piperidine
SMILESClCC1CCN(CC2CCCO2)CC1
InChIInChI=1S/C11H20ClNO/c12-8-10-3-5-13(6-4-10)9-11-2-1-7-14-11/h10-11H,1-9H2
InChIKeySXJKVZAXDBOREZ-UHFFFAOYSA-N
XLogP2.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 52.12
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-(oxolan-2-ylmethyl)piperidine?
The IUPAC name of 4-(chloromethyl)-1-(oxolan-2-ylmethyl)piperidine (CID 63387612) is 4-(chloromethyl)-1-(oxolan-2-ylmethyl)piperidine.
What is the SMILES notation for 4-(chloromethyl)-1-(oxolan-2-ylmethyl)piperidine?
The canonical SMILES for 4-(chloromethyl)-1-(oxolan-2-ylmethyl)piperidine is ClCC1CCN(CC2CCCO2)CC1.
What is the InChIKey of 4-(chloromethyl)-1-(oxolan-2-ylmethyl)piperidine?
The InChIKey is SXJKVZAXDBOREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO/c12-8-10-3-5-13(6-4-10)9-11-2-1-7-14-11/h10-11H,1-9H2.
What are the key properties of 4-(chloromethyl)-1-(oxolan-2-ylmethyl)piperidine?
4-(chloromethyl)-1-(oxolan-2-ylmethyl)piperidine has a molecular weight of 217.74 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-(oxolan-2-ylmethyl)piperidine is sourced from PubChem (CID 63387612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).