4-[2,5-dimethyl-5-(oxan-4-yl)hexan-2-yl]piperidine

C18H35NO — CID 134480793

IUPAC4-[2,5-dimethyl-5-(oxan-4-yl)hexan-2-yl]piperidine
SMILESCC(C)(CCC(C)(C)C1CCOCC1)C1CCNCC1
InChIInChI=1S/C18H35NO/c1-17(2,15-5-11-19-12-6-15)9-10-18(3,4)16-7-13-20-14-8-16/h15-16,19H,5-14H2,1-4H3
InChIKeyBXRLUZDXXPUKID-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.25
Rot. Bonds5

About 4-[2,5-dimethyl-5-(oxan-4-yl)hexan-2-yl]piperidine

4-[2,5-dimethyl-5-(oxan-4-yl)hexan-2-yl]piperidine (PubChem CID 134480793) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is 4-[2,5-dimethyl-5-(oxan-4-yl)hexan-2-yl]piperidine.

Molecular Properties

Compound Name4-[2,5-dimethyl-5-(oxan-4-yl)hexan-2-yl]piperidine
PubChem CID134480793
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name4-[2,5-dimethyl-5-(oxan-4-yl)hexan-2-yl]piperidine
SMILESCC(C)(CCC(C)(C)C1CCOCC1)C1CCNCC1
InChIInChI=1S/C18H35NO/c1-17(2,15-5-11-19-12-6-15)9-10-18(3,4)16-7-13-20-14-8-16/h15-16,19H,5-14H2,1-4H3
InChIKeyBXRLUZDXXPUKID-UHFFFAOYSA-N
XLogP4.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2,5-dimethyl-5-(oxan-4-yl)hexan-2-yl]piperidine?
The IUPAC name of 4-[2,5-dimethyl-5-(oxan-4-yl)hexan-2-yl]piperidine (CID 134480793) is 4-[2,5-dimethyl-5-(oxan-4-yl)hexan-2-yl]piperidine.
What is the SMILES notation for 4-[2,5-dimethyl-5-(oxan-4-yl)hexan-2-yl]piperidine?
The canonical SMILES for 4-[2,5-dimethyl-5-(oxan-4-yl)hexan-2-yl]piperidine is CC(C)(CCC(C)(C)C1CCOCC1)C1CCNCC1.
What is the InChIKey of 4-[2,5-dimethyl-5-(oxan-4-yl)hexan-2-yl]piperidine?
The InChIKey is BXRLUZDXXPUKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-17(2,15-5-11-19-12-6-15)9-10-18(3,4)16-7-13-20-14-8-16/h15-16,19H,5-14H2,1-4H3.
What are the key properties of 4-[2,5-dimethyl-5-(oxan-4-yl)hexan-2-yl]piperidine?
4-[2,5-dimethyl-5-(oxan-4-yl)hexan-2-yl]piperidine has a molecular weight of 281.48 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,5-dimethyl-5-(oxan-4-yl)hexan-2-yl]piperidine is sourced from PubChem (CID 134480793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).