1-[1-(1-chloro-2-methylpropan-2-yl)oxypropan-2-yl]piperidine

C12H24ClNO — CID 67895532

IUPAC1-[1-(1-chloro-2-methylpropan-2-yl)oxypropan-2-yl]piperidine
SMILESCC(COC(C)(C)CCl)N1CCCCC1
InChIInChI=1S/C12H24ClNO/c1-11(9-15-12(2,3)10-13)14-7-5-4-6-8-14/h11H,4-10H2,1-3H3
InChIKeyFTNACPQNZOYIRA-UHFFFAOYSA-N
MW233.78 g/mol
LogP2.89
Rot. Bonds5

About 1-[1-(1-chloro-2-methylpropan-2-yl)oxypropan-2-yl]piperidine

1-[1-(1-chloro-2-methylpropan-2-yl)oxypropan-2-yl]piperidine (PubChem CID 67895532) has the molecular formula C12H24ClNO and a molecular weight of 233.78 g/mol. Its IUPAC name is 1-[1-(1-chloro-2-methylpropan-2-yl)oxypropan-2-yl]piperidine.

Molecular Properties

Compound Name1-[1-(1-chloro-2-methylpropan-2-yl)oxypropan-2-yl]piperidine
PubChem CID67895532
Molecular FormulaC12H24ClNO
Molecular Weight233.78 g/mol
Exact Mass233.15
IUPAC Name1-[1-(1-chloro-2-methylpropan-2-yl)oxypropan-2-yl]piperidine
SMILESCC(COC(C)(C)CCl)N1CCCCC1
InChIInChI=1S/C12H24ClNO/c1-11(9-15-12(2,3)10-13)14-7-5-4-6-8-14/h11H,4-10H2,1-3H3
InChIKeyFTNACPQNZOYIRA-UHFFFAOYSA-N
XLogP2.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.78
LogP ≤ 52.89
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-[1-(1-chloro-2-methylpropan-2-yl)oxypropan-2-yl]piperidine?
The IUPAC name of 1-[1-(1-chloro-2-methylpropan-2-yl)oxypropan-2-yl]piperidine (CID 67895532) is 1-[1-(1-chloro-2-methylpropan-2-yl)oxypropan-2-yl]piperidine.
What is the SMILES notation for 1-[1-(1-chloro-2-methylpropan-2-yl)oxypropan-2-yl]piperidine?
The canonical SMILES for 1-[1-(1-chloro-2-methylpropan-2-yl)oxypropan-2-yl]piperidine is CC(COC(C)(C)CCl)N1CCCCC1.
What is the InChIKey of 1-[1-(1-chloro-2-methylpropan-2-yl)oxypropan-2-yl]piperidine?
The InChIKey is FTNACPQNZOYIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO/c1-11(9-15-12(2,3)10-13)14-7-5-4-6-8-14/h11H,4-10H2,1-3H3.
What are the key properties of 1-[1-(1-chloro-2-methylpropan-2-yl)oxypropan-2-yl]piperidine?
1-[1-(1-chloro-2-methylpropan-2-yl)oxypropan-2-yl]piperidine has a molecular weight of 233.78 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-chloro-2-methylpropan-2-yl)oxypropan-2-yl]piperidine is sourced from PubChem (CID 67895532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).