tert-butyl 4-aminopiperidine-1-carboxylate;2-methylpyridine

C16H27N3O2 — CID 153338980

IUPACtert-butyl 4-aminopiperidine-1-carboxylate;2-methylpyridine
SMILESCC(C)(C)OC(=O)N1CCC(N)CC1.Cc1ccccn1
InChIInChI=1S/C10H20N2O2.C6H7N/c1-10(2,3)14-9(13)12-6-4-8(11)5-7-12;1-6-4-2-3-5-7-6/h8H,4-7,11H2,1-3H3;2-5H,1H3
InChIKeySBHDFJSGFVARLL-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.73
Rot. Bonds

About tert-butyl 4-aminopiperidine-1-carboxylate;2-methylpyridine

tert-butyl 4-aminopiperidine-1-carboxylate;2-methylpyridine (PubChem CID 153338980) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is tert-butyl 4-aminopiperidine-1-carboxylate;2-methylpyridine.

Molecular Properties

Compound Nametert-butyl 4-aminopiperidine-1-carboxylate;2-methylpyridine
PubChem CID153338980
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Nametert-butyl 4-aminopiperidine-1-carboxylate;2-methylpyridine
SMILESCC(C)(C)OC(=O)N1CCC(N)CC1.Cc1ccccn1
InChIInChI=1S/C10H20N2O2.C6H7N/c1-10(2,3)14-9(13)12-6-4-8(11)5-7-12;1-6-4-2-3-5-7-6/h8H,4-7,11H2,1-3H3;2-5H,1H3
InChIKeySBHDFJSGFVARLL-UHFFFAOYSA-N
XLogP2.73
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-aminopiperidine-1-carboxylate;2-methylpyridine 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

tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
CID 11108143
tert-butyl 4-aminopiperidine-1-carboxylate;2-phenylethanol
CID 142239984
tert-butyl 4-(3-methyl-2-pyridin-2-ylphenyl)piperidine-1-carboxylate
CID 170633547
tert-butyl (3R,4R)-4-amino-3-(2-methyl-3-pyridinyl)piperidine-1-carboxylate
CID 146402292
tert-butyl 4-(2-pyridin-2-ylacetyl)piperidine-1-carboxylate
CID 46941819
tert-butyl 4-[[(2-pyridin-2-ylacetyl)amino]methyl]piperidine-1-carboxylate
CID 139805130
tert-butyl 4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidine-1-carboxylate;ethane
CID 166113013
tert-butyl 4-[[bis[(3-methyl-2-pyridinyl)methyl]amino]methyl]piperidine-1-carboxylate
CID 67271625
tert-butyl 4-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]piperidine-1-carboxylate
CID 97175773
tert-butyl 4-aminopiperidine-1-carboxylate;4-[(2-ethoxy-2-oxo-1-pyridin-2-ylethyl)carbamoylamino]piperidine-1-carboxylic acid
CID 68828048
tert-butyl (3R)-3-[(3-bromo-2-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 97102850
tert-butyl 3-[methyl(pyridin-2-ylmethyl)amino]pyrrolidine-1-carboxylate
CID 71647426

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-aminopiperidine-1-carboxylate;2-methylpyridine?
The IUPAC name of tert-butyl 4-aminopiperidine-1-carboxylate;2-methylpyridine (CID 153338980) is tert-butyl 4-aminopiperidine-1-carboxylate;2-methylpyridine.
What is the SMILES notation for tert-butyl 4-aminopiperidine-1-carboxylate;2-methylpyridine?
The canonical SMILES for tert-butyl 4-aminopiperidine-1-carboxylate;2-methylpyridine is CC(C)(C)OC(=O)N1CCC(N)CC1.Cc1ccccn1.
What is the InChIKey of tert-butyl 4-aminopiperidine-1-carboxylate;2-methylpyridine?
The InChIKey is SBHDFJSGFVARLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2.C6H7N/c1-10(2,3)14-9(13)12-6-4-8(11)5-7-12;1-6-4-2-3-5-7-6/h8H,4-7,11H2,1-3H3;2-5H,1H3.
What are the key properties of tert-butyl 4-aminopiperidine-1-carboxylate;2-methylpyridine?
tert-butyl 4-aminopiperidine-1-carboxylate;2-methylpyridine has a molecular weight of 293.41 g/mol, XLogP of 2.73, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-aminopiperidine-1-carboxylate;2-methylpyridine is sourced from PubChem (CID 153338980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).