tert-butyl 4-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]piperidine-1-carboxylate

C17H35N3O3 — CID 103838891

IUPACtert-butyl 4-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]piperidine-1-carboxylate
SMILESCN(C)CC(C)(O)CNCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H35N3O3/c1-16(2,3)23-15(21)20-9-7-14(8-10-20)11-18-12-17(4,22)13-19(5)6/h14,18,22H,7-13H2,1-6H3
InChIKeyNIUNAXWRFFFQQR-UHFFFAOYSA-N
MW329.49 g/mol
LogP1.54
Rot. Bonds6

About tert-butyl 4-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]piperidine-1-carboxylate

tert-butyl 4-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]piperidine-1-carboxylate (PubChem CID 103838891) has the molecular formula C17H35N3O3 and a molecular weight of 329.49 g/mol. Its IUPAC name is tert-butyl 4-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]piperidine-1-carboxylate
PubChem CID103838891
Molecular FormulaC17H35N3O3
Molecular Weight329.49 g/mol
Exact Mass329.27
IUPAC Nametert-butyl 4-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]piperidine-1-carboxylate
SMILESCN(C)CC(C)(O)CNCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H35N3O3/c1-16(2,3)23-15(21)20-9-7-14(8-10-20)11-18-12-17(4,22)13-19(5)6/h14,18,22H,7-13H2,1-6H3
InChIKeyNIUNAXWRFFFQQR-UHFFFAOYSA-N
XLogP1.54
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]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 4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]piperidine-1-carboxylate
CID 103730102
tert-butyl 4-(ethylaminomethyl)piperidine-1-carboxylate
CID 53249196
tert-butyl 4-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]piperidine-1-carboxylate
CID 79697736
tert-butyl 4-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]piperidine-1-carboxylate
CID 104625238
tert-butyl 4-(propylaminomethyl)piperidine-1-carboxylate
CID 66960433
tert-butyl 4-[(prop-2-ynylamino)methyl]piperidine-1-carboxylate
CID 79699956
tert-butyl 4-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]piperidine-1-carboxylate
CID 103730170
acetylene;tert-butyl 4-[2-[methoxy(methyl)amino]-2-oxoethyl]piperidine-1-carboxylate
CID 91021061
tert-butyl 4-[[2-(tert-butylamino)ethylamino]methyl]piperidine-1-carboxylate
CID 107446306
tert-butyl 4-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]piperidine-1-carboxylate
CID 79699650
tert-butyl 4-[[bis(dimethylamino)methylideneamino]methyl]piperidine-1-carboxylate
CID 111063022
tert-butyl 4-[(pentylamino)methyl]piperidine-1-carboxylate
CID 79697806

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]piperidine-1-carboxylate (CID 103838891) is tert-butyl 4-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]piperidine-1-carboxylate is CN(C)CC(C)(O)CNCC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]piperidine-1-carboxylate?
The InChIKey is NIUNAXWRFFFQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O3/c1-16(2,3)23-15(21)20-9-7-14(8-10-20)11-18-12-17(4,22)13-19(5)6/h14,18,22H,7-13H2,1-6H3.
What are the key properties of tert-butyl 4-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]piperidine-1-carboxylate?
tert-butyl 4-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]piperidine-1-carboxylate has a molecular weight of 329.49 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 103838891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).