4-cyclopentyl-1-methyl-4-(2,3,3-trimethylbutan-2-yl)piperidine;2,2,3,3-tetramethylbutane

C26H53N — CID 176691678

IUPAC4-cyclopentyl-1-methyl-4-(2,3,3-trimethylbutan-2-yl)piperidine;2,2,3,3-tetramethylbutane
SMILESCC(C)(C)C(C)(C)C.CN1CCC(C2CCCC2)(C(C)(C)C(C)(C)C)CC1
InChIInChI=1S/C18H35N.C8H18/c1-16(2,3)17(4,5)18(15-9-7-8-10-15)11-13-19(6)14-12-18;1-7(2,3)8(4,5)6/h15H,7-14H2,1-6H3;1-6H3
InChIKeyDDGJGPNMENSTDJ-UHFFFAOYSA-N
MW379.72 g/mol
LogP8.04
Rot. Bonds2

About 4-cyclopentyl-1-methyl-4-(2,3,3-trimethylbutan-2-yl)piperidine;2,2,3,3-tetramethylbutane

4-cyclopentyl-1-methyl-4-(2,3,3-trimethylbutan-2-yl)piperidine;2,2,3,3-tetramethylbutane (PubChem CID 176691678) has the molecular formula C26H53N and a molecular weight of 379.72 g/mol. Its IUPAC name is 4-cyclopentyl-1-methyl-4-(2,3,3-trimethylbutan-2-yl)piperidine;2,2,3,3-tetramethylbutane.

Molecular Properties

Compound Name4-cyclopentyl-1-methyl-4-(2,3,3-trimethylbutan-2-yl)piperidine;2,2,3,3-tetramethylbutane
PubChem CID176691678
Molecular FormulaC26H53N
Molecular Weight379.72 g/mol
Exact Mass379.42
IUPAC Name4-cyclopentyl-1-methyl-4-(2,3,3-trimethylbutan-2-yl)piperidine;2,2,3,3-tetramethylbutane
SMILESCC(C)(C)C(C)(C)C.CN1CCC(C2CCCC2)(C(C)(C)C(C)(C)C)CC1
InChIInChI=1S/C18H35N.C8H18/c1-16(2,3)17(4,5)18(15-9-7-8-10-15)11-13-19(6)14-12-18;1-7(2,3)8(4,5)6/h15H,7-14H2,1-6H3;1-6H3
InChIKeyDDGJGPNMENSTDJ-UHFFFAOYSA-N
XLogP8.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.72
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-1-methyl-4-(2,3,3-trimethylbutan-2-yl)piperidine;2,2,3,3-tetramethylbutane?
The IUPAC name of 4-cyclopentyl-1-methyl-4-(2,3,3-trimethylbutan-2-yl)piperidine;2,2,3,3-tetramethylbutane (CID 176691678) is 4-cyclopentyl-1-methyl-4-(2,3,3-trimethylbutan-2-yl)piperidine;2,2,3,3-tetramethylbutane.
What is the SMILES notation for 4-cyclopentyl-1-methyl-4-(2,3,3-trimethylbutan-2-yl)piperidine;2,2,3,3-tetramethylbutane?
The canonical SMILES for 4-cyclopentyl-1-methyl-4-(2,3,3-trimethylbutan-2-yl)piperidine;2,2,3,3-tetramethylbutane is CC(C)(C)C(C)(C)C.CN1CCC(C2CCCC2)(C(C)(C)C(C)(C)C)CC1.
What is the InChIKey of 4-cyclopentyl-1-methyl-4-(2,3,3-trimethylbutan-2-yl)piperidine;2,2,3,3-tetramethylbutane?
The InChIKey is DDGJGPNMENSTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N.C8H18/c1-16(2,3)17(4,5)18(15-9-7-8-10-15)11-13-19(6)14-12-18;1-7(2,3)8(4,5)6/h15H,7-14H2,1-6H3;1-6H3.
What are the key properties of 4-cyclopentyl-1-methyl-4-(2,3,3-trimethylbutan-2-yl)piperidine;2,2,3,3-tetramethylbutane?
4-cyclopentyl-1-methyl-4-(2,3,3-trimethylbutan-2-yl)piperidine;2,2,3,3-tetramethylbutane has a molecular weight of 379.72 g/mol, XLogP of 8.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-1-methyl-4-(2,3,3-trimethylbutan-2-yl)piperidine;2,2,3,3-tetramethylbutane is sourced from PubChem (CID 176691678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).