tert-butyl 4-(cycloheptylamino)-2-methylpiperidine-1-carboxylate

C18H34N2O2 — CID 107094439

IUPACtert-butyl 4-(cycloheptylamino)-2-methylpiperidine-1-carboxylate
SMILESCC1CC(NC2CCCCCC2)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C18H34N2O2/c1-14-13-16(19-15-9-7-5-6-8-10-15)11-12-20(14)17(21)22-18(2,3)4/h14-16,19H,5-13H2,1-4H3
InChIKeyPJKHHXXBBBOJRA-UHFFFAOYSA-N
MW310.48 g/mol
LogP4.09
Rot. Bonds2

About tert-butyl 4-(cycloheptylamino)-2-methylpiperidine-1-carboxylate

tert-butyl 4-(cycloheptylamino)-2-methylpiperidine-1-carboxylate (PubChem CID 107094439) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is tert-butyl 4-(cycloheptylamino)-2-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(cycloheptylamino)-2-methylpiperidine-1-carboxylate
PubChem CID107094439
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Nametert-butyl 4-(cycloheptylamino)-2-methylpiperidine-1-carboxylate
SMILESCC1CC(NC2CCCCCC2)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C18H34N2O2/c1-14-13-16(19-15-9-7-5-6-8-10-15)11-12-20(14)17(21)22-18(2,3)4/h14-16,19H,5-13H2,1-4H3
InChIKeyPJKHHXXBBBOJRA-UHFFFAOYSA-N
XLogP4.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(cycloheptylamino)-2-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(cycloheptylamino)-2-methylpiperidine-1-carboxylate (CID 107094439) is tert-butyl 4-(cycloheptylamino)-2-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(cycloheptylamino)-2-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(cycloheptylamino)-2-methylpiperidine-1-carboxylate is CC1CC(NC2CCCCCC2)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-(cycloheptylamino)-2-methylpiperidine-1-carboxylate?
The InChIKey is PJKHHXXBBBOJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-14-13-16(19-15-9-7-5-6-8-10-15)11-12-20(14)17(21)22-18(2,3)4/h14-16,19H,5-13H2,1-4H3.
What are the key properties of tert-butyl 4-(cycloheptylamino)-2-methylpiperidine-1-carboxylate?
tert-butyl 4-(cycloheptylamino)-2-methylpiperidine-1-carboxylate has a molecular weight of 310.48 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(cycloheptylamino)-2-methylpiperidine-1-carboxylate is sourced from PubChem (CID 107094439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).