4-(5-chlorofuran-2-yl)-2,2-dimethylpiperidine

C11H16ClNO — CID 117258206

IUPAC4-(5-chlorofuran-2-yl)-2,2-dimethylpiperidine
SMILESCC1(C)CC(c2ccc(Cl)o2)CCN1
InChIInChI=1S/C11H16ClNO/c1-11(2)7-8(5-6-13-11)9-3-4-10(12)14-9/h3-4,8,13H,5-7H2,1-2H3
InChIKeyVYICLBDHAVOOBD-UHFFFAOYSA-N
MW213.71 g/mol
LogP3.18
Rot. Bonds1

About 4-(5-chlorofuran-2-yl)-2,2-dimethylpiperidine

4-(5-chlorofuran-2-yl)-2,2-dimethylpiperidine (PubChem CID 117258206) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 4-(5-chlorofuran-2-yl)-2,2-dimethylpiperidine.

Molecular Properties

Compound Name4-(5-chlorofuran-2-yl)-2,2-dimethylpiperidine
PubChem CID117258206
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name4-(5-chlorofuran-2-yl)-2,2-dimethylpiperidine
SMILESCC1(C)CC(c2ccc(Cl)o2)CCN1
InChIInChI=1S/C11H16ClNO/c1-11(2)7-8(5-6-13-11)9-3-4-10(12)14-9/h3-4,8,13H,5-7H2,1-2H3
InChIKeyVYICLBDHAVOOBD-UHFFFAOYSA-N
XLogP3.18
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorofuran-2-yl)-2,2-dimethylpiperidine?
The IUPAC name of 4-(5-chlorofuran-2-yl)-2,2-dimethylpiperidine (CID 117258206) is 4-(5-chlorofuran-2-yl)-2,2-dimethylpiperidine.
What is the SMILES notation for 4-(5-chlorofuran-2-yl)-2,2-dimethylpiperidine?
The canonical SMILES for 4-(5-chlorofuran-2-yl)-2,2-dimethylpiperidine is CC1(C)CC(c2ccc(Cl)o2)CCN1.
What is the InChIKey of 4-(5-chlorofuran-2-yl)-2,2-dimethylpiperidine?
The InChIKey is VYICLBDHAVOOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-11(2)7-8(5-6-13-11)9-3-4-10(12)14-9/h3-4,8,13H,5-7H2,1-2H3.
What are the key properties of 4-(5-chlorofuran-2-yl)-2,2-dimethylpiperidine?
4-(5-chlorofuran-2-yl)-2,2-dimethylpiperidine has a molecular weight of 213.71 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorofuran-2-yl)-2,2-dimethylpiperidine is sourced from PubChem (CID 117258206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).