tert-butyl 4-methyl-4-[(1-methylpiperidin-2-yl)methylamino]piperidine-1-carboxylate

C18H35N3O2 — CID 107254396

IUPACtert-butyl 4-methyl-4-[(1-methylpiperidin-2-yl)methylamino]piperidine-1-carboxylate
SMILESCN1CCCCC1CNC1(C)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H35N3O2/c1-17(2,3)23-16(22)21-12-9-18(4,10-13-21)19-14-15-8-6-7-11-20(15)5/h15,19H,6-14H2,1-5H3
InChIKeySASZBIKORNYROG-UHFFFAOYSA-N
MW325.50 g/mol
LogP2.85
Rot. Bonds3

About tert-butyl 4-methyl-4-[(1-methylpiperidin-2-yl)methylamino]piperidine-1-carboxylate

tert-butyl 4-methyl-4-[(1-methylpiperidin-2-yl)methylamino]piperidine-1-carboxylate (PubChem CID 107254396) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is tert-butyl 4-methyl-4-[(1-methylpiperidin-2-yl)methylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-methyl-4-[(1-methylpiperidin-2-yl)methylamino]piperidine-1-carboxylate
PubChem CID107254396
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC Nametert-butyl 4-methyl-4-[(1-methylpiperidin-2-yl)methylamino]piperidine-1-carboxylate
SMILESCN1CCCCC1CNC1(C)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H35N3O2/c1-17(2,3)23-16(22)21-12-9-18(4,10-13-21)19-14-15-8-6-7-11-20(15)5/h15,19H,6-14H2,1-5H3
InChIKeySASZBIKORNYROG-UHFFFAOYSA-N
XLogP2.85
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-methyl-4-[(1-methylpiperidin-2-yl)methylamino]piperidine-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

Related Compounds

tert-butyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
CID 62196160
tert-butyl 6-[(1-methylpiperidin-2-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398075
tert-butyl 4-methyl-4-(2-methylpropylamino)piperidine-1-carboxylate
CID 104956396
tert-butyl 2-[[(3-methyloxolan-3-yl)amino]methyl]piperidine-1-carboxylate
CID 106634410
tert-butyl 4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-4-methylpiperidine-1-carboxylate
CID 104956449
tert-butyl N-[1-[[(1-methylpiperidin-2-yl)methylamino]methyl]cyclobutyl]carbamate
CID 107243370
tert-butyl 4-cyclohexyl-4-methoxypiperidine-1-carboxylate
CID 22492894
tert-butyl 4-(heptylamino)-4-methylpiperidine-1-carboxylate
CID 107254416
tert-butyl 4-cyclohexyl-4-(2-hydroxyethyl)piperidine-1-carboxylate
CID 21018689
tert-butyl 4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 67240999
tert-butyl 2-[(2S)-1-methylpiperidin-2-yl]acetate
CID 134905805
1-[(1-methylpiperidin-2-yl)methylamino]cyclopentane-1-carboxylic acid
CID 115000518

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-methyl-4-[(1-methylpiperidin-2-yl)methylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-methyl-4-[(1-methylpiperidin-2-yl)methylamino]piperidine-1-carboxylate (CID 107254396) is tert-butyl 4-methyl-4-[(1-methylpiperidin-2-yl)methylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-methyl-4-[(1-methylpiperidin-2-yl)methylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-methyl-4-[(1-methylpiperidin-2-yl)methylamino]piperidine-1-carboxylate is CN1CCCCC1CNC1(C)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-methyl-4-[(1-methylpiperidin-2-yl)methylamino]piperidine-1-carboxylate?
The InChIKey is SASZBIKORNYROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-17(2,3)23-16(22)21-12-9-18(4,10-13-21)19-14-15-8-6-7-11-20(15)5/h15,19H,6-14H2,1-5H3.
What are the key properties of tert-butyl 4-methyl-4-[(1-methylpiperidin-2-yl)methylamino]piperidine-1-carboxylate?
tert-butyl 4-methyl-4-[(1-methylpiperidin-2-yl)methylamino]piperidine-1-carboxylate has a molecular weight of 325.50 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-methyl-4-[(1-methylpiperidin-2-yl)methylamino]piperidine-1-carboxylate is sourced from PubChem (CID 107254396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).