tert-butyl N-[1-(4-methylhexyl)piperidin-4-yl]carbamate

C17H34N2O2 — CID 18922129

IUPACtert-butyl N-[1-(4-methylhexyl)piperidin-4-yl]carbamate
SMILESCCC(C)CCCN1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H34N2O2/c1-6-14(2)8-7-11-19-12-9-15(10-13-19)18-16(20)21-17(3,4)5/h14-15H,6-13H2,1-5H3,(H,18,20)
InChIKeyYVFMBRHZMCYVTI-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.80
Rot. Bonds6

About tert-butyl N-[1-(4-methylhexyl)piperidin-4-yl]carbamate

tert-butyl N-[1-(4-methylhexyl)piperidin-4-yl]carbamate (PubChem CID 18922129) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is tert-butyl N-[1-(4-methylhexyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(4-methylhexyl)piperidin-4-yl]carbamate
PubChem CID18922129
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Nametert-butyl N-[1-(4-methylhexyl)piperidin-4-yl]carbamate
SMILESCCC(C)CCCN1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H34N2O2/c1-6-14(2)8-7-11-19-12-9-15(10-13-19)18-16(20)21-17(3,4)5/h14-15H,6-13H2,1-5H3,(H,18,20)
InChIKeyYVFMBRHZMCYVTI-UHFFFAOYSA-N
XLogP3.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(4-methylhexyl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(4-methylhexyl)piperidin-4-yl]carbamate (CID 18922129) is tert-butyl N-[1-(4-methylhexyl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(4-methylhexyl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(4-methylhexyl)piperidin-4-yl]carbamate is CCC(C)CCCN1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[1-(4-methylhexyl)piperidin-4-yl]carbamate?
The InChIKey is YVFMBRHZMCYVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-6-14(2)8-7-11-19-12-9-15(10-13-19)18-16(20)21-17(3,4)5/h14-15H,6-13H2,1-5H3,(H,18,20).
What are the key properties of tert-butyl N-[1-(4-methylhexyl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(4-methylhexyl)piperidin-4-yl]carbamate has a molecular weight of 298.47 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(4-methylhexyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 18922129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).