tert-butyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpiperidine-1-carboxylate

C17H30N2O3 — CID 107095684

IUPACtert-butyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpiperidine-1-carboxylate
SMILESCC1CC(NCC2CCC=CO2)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H30N2O3/c1-13-11-14(18-12-15-7-5-6-10-21-15)8-9-19(13)16(20)22-17(2,3)4/h6,10,13-15,18H,5,7-9,11-12H2,1-4H3
InChIKeyMRKISLZNJADMER-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.06
Rot. Bonds3

About tert-butyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpiperidine-1-carboxylate

tert-butyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpiperidine-1-carboxylate (PubChem CID 107095684) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is tert-butyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpiperidine-1-carboxylate
PubChem CID107095684
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Nametert-butyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpiperidine-1-carboxylate
SMILESCC1CC(NCC2CCC=CO2)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H30N2O3/c1-13-11-14(18-12-15-7-5-6-10-21-15)8-9-19(13)16(20)22-17(2,3)4/h6,10,13-15,18H,5,7-9,11-12H2,1-4H3
InChIKeyMRKISLZNJADMER-UHFFFAOYSA-N
XLogP3.06
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpiperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpiperidine-1-carboxylate (CID 107095684) is tert-butyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpiperidine-1-carboxylate is CC1CC(NCC2CCC=CO2)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpiperidine-1-carboxylate?
The InChIKey is MRKISLZNJADMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-13-11-14(18-12-15-7-5-6-10-21-15)8-9-19(13)16(20)22-17(2,3)4/h6,10,13-15,18H,5,7-9,11-12H2,1-4H3.
What are the key properties of tert-butyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpiperidine-1-carboxylate?
tert-butyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpiperidine-1-carboxylate has a molecular weight of 310.44 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpiperidine-1-carboxylate is sourced from PubChem (CID 107095684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).