4-(3-methylbutan-2-yl)-1-(2-methylpentan-2-yl)piperidine

C16H33N — CID 167228555

IUPAC4-(3-methylbutan-2-yl)-1-(2-methylpentan-2-yl)piperidine
SMILESCCCC(C)(C)N1CCC(C(C)C(C)C)CC1
InChIInChI=1S/C16H33N/c1-7-10-16(5,6)17-11-8-15(9-12-17)14(4)13(2)3/h13-15H,7-12H2,1-6H3
InChIKeyVXNCGIRHQKIDLW-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.57
Rot. Bonds5

About 4-(3-methylbutan-2-yl)-1-(2-methylpentan-2-yl)piperidine

4-(3-methylbutan-2-yl)-1-(2-methylpentan-2-yl)piperidine (PubChem CID 167228555) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 4-(3-methylbutan-2-yl)-1-(2-methylpentan-2-yl)piperidine.

Molecular Properties

Compound Name4-(3-methylbutan-2-yl)-1-(2-methylpentan-2-yl)piperidine
PubChem CID167228555
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name4-(3-methylbutan-2-yl)-1-(2-methylpentan-2-yl)piperidine
SMILESCCCC(C)(C)N1CCC(C(C)C(C)C)CC1
InChIInChI=1S/C16H33N/c1-7-10-16(5,6)17-11-8-15(9-12-17)14(4)13(2)3/h13-15H,7-12H2,1-6H3
InChIKeyVXNCGIRHQKIDLW-UHFFFAOYSA-N
XLogP4.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Piperidine, 1,2,4-trimethyl-
CID 21627804
(2S,4S)-1,2,4-trimethylpiperidine
CID 21627805
Piperidine, 1,2,2,4-tetramethyl-
CID 23423757
1,2,4,6-Tetramethylpiperidine
CID 435108
1-(tert-Butyl)-3-methyl-piperidine
CID 587674
1,2,4-Trimethylpiperidine
CID 14454419
1,3,4-Trimethylpiperidine
CID 14454423
1-Methyl-3-athyl-piperidin
CID 17764459
1-(1,5,9-Trimethyl-decyl)-piperidine
CID 44271489
(2S,3R)-1,2,3-trimethylpiperidine
CID 642610
Piperidine, 1-dodecyl-3-methyl-
CID 430050
1,4-Ditert-butylpiperidine
CID 12722194

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutan-2-yl)-1-(2-methylpentan-2-yl)piperidine?
The IUPAC name of 4-(3-methylbutan-2-yl)-1-(2-methylpentan-2-yl)piperidine (CID 167228555) is 4-(3-methylbutan-2-yl)-1-(2-methylpentan-2-yl)piperidine.
What is the SMILES notation for 4-(3-methylbutan-2-yl)-1-(2-methylpentan-2-yl)piperidine?
The canonical SMILES for 4-(3-methylbutan-2-yl)-1-(2-methylpentan-2-yl)piperidine is CCCC(C)(C)N1CCC(C(C)C(C)C)CC1.
What is the InChIKey of 4-(3-methylbutan-2-yl)-1-(2-methylpentan-2-yl)piperidine?
The InChIKey is VXNCGIRHQKIDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-7-10-16(5,6)17-11-8-15(9-12-17)14(4)13(2)3/h13-15H,7-12H2,1-6H3.
What are the key properties of 4-(3-methylbutan-2-yl)-1-(2-methylpentan-2-yl)piperidine?
4-(3-methylbutan-2-yl)-1-(2-methylpentan-2-yl)piperidine has a molecular weight of 239.45 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutan-2-yl)-1-(2-methylpentan-2-yl)piperidine is sourced from PubChem (CID 167228555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).