tert-butyl 1-methylpiperidine-4-carboxylate;carbon dioxide

C12H21NO4 — CID 161073705

IUPACtert-butyl 1-methylpiperidine-4-carboxylate;carbon dioxide
SMILESCN1CCC(C(=O)OC(C)(C)C)CC1.O=C=O
InChIInChI=1S/C11H21NO2.CO2/c1-11(2,3)14-10(13)9-5-7-12(4)8-6-9;2-1-3/h9H,5-8H2,1-4H3;
InChIKeyUEZHCIASLZJOCI-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.09
Rot. Bonds1

About tert-butyl 1-methylpiperidine-4-carboxylate;carbon dioxide

tert-butyl 1-methylpiperidine-4-carboxylate;carbon dioxide (PubChem CID 161073705) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is tert-butyl 1-methylpiperidine-4-carboxylate;carbon dioxide.

Molecular Properties

Compound Nametert-butyl 1-methylpiperidine-4-carboxylate;carbon dioxide
PubChem CID161073705
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Nametert-butyl 1-methylpiperidine-4-carboxylate;carbon dioxide
SMILESCN1CCC(C(=O)OC(C)(C)C)CC1.O=C=O
InChIInChI=1S/C11H21NO2.CO2/c1-11(2,3)14-10(13)9-5-7-12(4)8-6-9;2-1-3/h9H,5-8H2,1-4H3;
InChIKeyUEZHCIASLZJOCI-UHFFFAOYSA-N
XLogP1.09
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 1-methylpiperidine-4-carboxylate;carbon dioxide with MolForge

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

Launch Full Analysis

Related Compounds

2-hydroxypropan-2-yl 1-methylpiperidine-4-carboxylate
CID 174993890
tert-butyl cyclopropanecarboxylate
CID 157212632
tert-butyl 1-prop-2-ynylpiperidine-4-carboxylate
CID 126454918
tert-butyl cyclododecanecarboxylate
CID 154013086
tert-butyl 1-(2-chloroacetyl)piperidine-4-carboxylate
CID 90085069
amino 1-methylpiperidine-4-carboxylate
CID 18698219
tert-butyl 4-methylcyclohexane-1-carboxylate
CID 59152157
tert-butyl 1-[4-(2-methoxy-2-oxoacetyl)piperazin-1-yl]piperidine-4-carboxylate
CID 140984746
bis[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]piperazin-1-yl] propanedioate
CID 67597388
trifluoro-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]methyl]boranuide
CID 140887943
tert-butyl 1-(acetylsulfanylmethyl)piperidine-4-carboxylate
CID 150933805
tert-butyl thiane-4-carboxylate
CID 118666343

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-methylpiperidine-4-carboxylate;carbon dioxide?
The IUPAC name of tert-butyl 1-methylpiperidine-4-carboxylate;carbon dioxide (CID 161073705) is tert-butyl 1-methylpiperidine-4-carboxylate;carbon dioxide.
What is the SMILES notation for tert-butyl 1-methylpiperidine-4-carboxylate;carbon dioxide?
The canonical SMILES for tert-butyl 1-methylpiperidine-4-carboxylate;carbon dioxide is CN1CCC(C(=O)OC(C)(C)C)CC1.O=C=O.
What is the InChIKey of tert-butyl 1-methylpiperidine-4-carboxylate;carbon dioxide?
The InChIKey is UEZHCIASLZJOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2.CO2/c1-11(2,3)14-10(13)9-5-7-12(4)8-6-9;2-1-3/h9H,5-8H2,1-4H3;.
What are the key properties of tert-butyl 1-methylpiperidine-4-carboxylate;carbon dioxide?
tert-butyl 1-methylpiperidine-4-carboxylate;carbon dioxide has a molecular weight of 243.30 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-methylpiperidine-4-carboxylate;carbon dioxide is sourced from PubChem (CID 161073705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).