tert-butyl N-[7-methyl-6-(piperidin-1-ylmethyl)-1,2,3,4,7,8-hexahydronaphthalen-2-yl]carbamate

C22H36N2O2 — CID 147193120

IUPACtert-butyl N-[7-methyl-6-(piperidin-1-ylmethyl)-1,2,3,4,7,8-hexahydronaphthalen-2-yl]carbamate
SMILESCC1CC2=C(C=C1CN1CCCCC1)CCC(NC(=O)OC(C)(C)C)C2
InChIInChI=1S/C22H36N2O2/c1-16-12-18-14-20(23-21(25)26-22(2,3)4)9-8-17(18)13-19(16)15-24-10-6-5-7-11-24/h13,16,20H,5-12,14-15H2,1-4H3,(H,23,25)
InChIKeyCBVFUNIYTXBBDI-UHFFFAOYSA-N
MW360.54 g/mol
LogP4.81
Rot. Bonds3

About tert-butyl N-[7-methyl-6-(piperidin-1-ylmethyl)-1,2,3,4,7,8-hexahydronaphthalen-2-yl]carbamate

tert-butyl N-[7-methyl-6-(piperidin-1-ylmethyl)-1,2,3,4,7,8-hexahydronaphthalen-2-yl]carbamate (PubChem CID 147193120) has the molecular formula C22H36N2O2 and a molecular weight of 360.54 g/mol. Its IUPAC name is tert-butyl N-[7-methyl-6-(piperidin-1-ylmethyl)-1,2,3,4,7,8-hexahydronaphthalen-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[7-methyl-6-(piperidin-1-ylmethyl)-1,2,3,4,7,8-hexahydronaphthalen-2-yl]carbamate
PubChem CID147193120
Molecular FormulaC22H36N2O2
Molecular Weight360.54 g/mol
Exact Mass360.28
IUPAC Nametert-butyl N-[7-methyl-6-(piperidin-1-ylmethyl)-1,2,3,4,7,8-hexahydronaphthalen-2-yl]carbamate
SMILESCC1CC2=C(C=C1CN1CCCCC1)CCC(NC(=O)OC(C)(C)C)C2
InChIInChI=1S/C22H36N2O2/c1-16-12-18-14-20(23-21(25)26-22(2,3)4)9-8-17(18)13-19(16)15-24-10-6-5-7-11-24/h13,16,20H,5-12,14-15H2,1-4H3,(H,23,25)
InChIKeyCBVFUNIYTXBBDI-UHFFFAOYSA-N
XLogP4.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.54
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[7-methyl-6-(piperidin-1-ylmethyl)-1,2,3,4,7,8-hexahydronaphthalen-2-yl]carbamate?
The IUPAC name of tert-butyl N-[7-methyl-6-(piperidin-1-ylmethyl)-1,2,3,4,7,8-hexahydronaphthalen-2-yl]carbamate (CID 147193120) is tert-butyl N-[7-methyl-6-(piperidin-1-ylmethyl)-1,2,3,4,7,8-hexahydronaphthalen-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[7-methyl-6-(piperidin-1-ylmethyl)-1,2,3,4,7,8-hexahydronaphthalen-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[7-methyl-6-(piperidin-1-ylmethyl)-1,2,3,4,7,8-hexahydronaphthalen-2-yl]carbamate is CC1CC2=C(C=C1CN1CCCCC1)CCC(NC(=O)OC(C)(C)C)C2.
What is the InChIKey of tert-butyl N-[7-methyl-6-(piperidin-1-ylmethyl)-1,2,3,4,7,8-hexahydronaphthalen-2-yl]carbamate?
The InChIKey is CBVFUNIYTXBBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O2/c1-16-12-18-14-20(23-21(25)26-22(2,3)4)9-8-17(18)13-19(16)15-24-10-6-5-7-11-24/h13,16,20H,5-12,14-15H2,1-4H3,(H,23,25).
What are the key properties of tert-butyl N-[7-methyl-6-(piperidin-1-ylmethyl)-1,2,3,4,7,8-hexahydronaphthalen-2-yl]carbamate?
tert-butyl N-[7-methyl-6-(piperidin-1-ylmethyl)-1,2,3,4,7,8-hexahydronaphthalen-2-yl]carbamate has a molecular weight of 360.54 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[7-methyl-6-(piperidin-1-ylmethyl)-1,2,3,4,7,8-hexahydronaphthalen-2-yl]carbamate is sourced from PubChem (CID 147193120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).