tert-butyl N-[(1-methylpiperidin-3-yl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;(1-methylpiperidin-3-yl)methanamine

C24H48N4O4 — CID 160536480

IUPACtert-butyl N-[(1-methylpiperidin-3-yl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;(1-methylpiperidin-3-yl)methanamine
SMILESCN1CCCC(CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C1.CN1CCCC(CN)C1
InChIInChI=1S/C17H32N2O4.C7H16N2/c1-16(2,3)22-14(20)19(15(21)23-17(4,5)6)12-13-9-8-10-18(7)11-13;1-9-4-2-3-7(5-8)6-9/h13H,8-12H2,1-7H3;7H,2-6,8H2,1H3
InChIKeyQWFLZXBSUDGMGC-UHFFFAOYSA-N
MW456.67 g/mol
LogP3.79
Rot. Bonds3

About tert-butyl N-[(1-methylpiperidin-3-yl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;(1-methylpiperidin-3-yl)methanamine

tert-butyl N-[(1-methylpiperidin-3-yl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;(1-methylpiperidin-3-yl)methanamine (PubChem CID 160536480) has the molecular formula C24H48N4O4 and a molecular weight of 456.67 g/mol. Its IUPAC name is tert-butyl N-[(1-methylpiperidin-3-yl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;(1-methylpiperidin-3-yl)methanamine.

Molecular Properties

Compound Nametert-butyl N-[(1-methylpiperidin-3-yl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;(1-methylpiperidin-3-yl)methanamine
PubChem CID160536480
Molecular FormulaC24H48N4O4
Molecular Weight456.67 g/mol
Exact Mass456.37
IUPAC Nametert-butyl N-[(1-methylpiperidin-3-yl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;(1-methylpiperidin-3-yl)methanamine
SMILESCN1CCCC(CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C1.CN1CCCC(CN)C1
InChIInChI=1S/C17H32N2O4.C7H16N2/c1-16(2,3)22-14(20)19(15(21)23-17(4,5)6)12-13-9-8-10-18(7)11-13;1-9-4-2-3-7(5-8)6-9/h13H,8-12H2,1-7H3;7H,2-6,8H2,1H3
InChIKeyQWFLZXBSUDGMGC-UHFFFAOYSA-N
XLogP3.79
TPSA88.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.67
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[(1-methylpiperidin-3-yl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;(1-methylpiperidin-3-yl)methanamine 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

1-Boc-3-(aminomethyl)piperidine
CID 2756483
Tert-butyl (1R,5S)-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate
CID 75487613
tert-Butyl (3S)-3-(aminomethyl)piperidine-1-carboxylate
CID 1502022
tert-butyl N-methyl-N-[(piperidin-3-yl)methyl]carbamate
CID 23004744
tert-Butyl (3R)-3-(aminomethyl)piperidine-1-carboxylate
CID 1502023
Tert-butyl 3,7-diazabicyclo(3.3.1)nonane-3-carboxylate
CID 22490264
tert-Butyl 3-((methylamino)methyl)piperidine-1-carboxylate
CID 24256606
(R)-tert-butyl 3-((methylamino)methyl)piperidine-1-carboxylate
CID 42052661
4-Piperidin-4-ylmethyl-piperidine-1-carboxylic acid t-butyl ester
CID 49761197
tert-Butyl 3-[(ethylamino)methyl]piperidine-1-carboxylate
CID 53249202
Tert-butyl 4-(3-(piperidin-4-yl)propyl)piperazine-1-carboxylate
CID 165655223
Tert-butyl 4-(3-(piperazin-1-yl)propyl)piperidine-1-carboxylate
CID 165881318

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1-methylpiperidin-3-yl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;(1-methylpiperidin-3-yl)methanamine?
The IUPAC name of tert-butyl N-[(1-methylpiperidin-3-yl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;(1-methylpiperidin-3-yl)methanamine (CID 160536480) is tert-butyl N-[(1-methylpiperidin-3-yl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;(1-methylpiperidin-3-yl)methanamine.
What is the SMILES notation for tert-butyl N-[(1-methylpiperidin-3-yl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;(1-methylpiperidin-3-yl)methanamine?
The canonical SMILES for tert-butyl N-[(1-methylpiperidin-3-yl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;(1-methylpiperidin-3-yl)methanamine is CN1CCCC(CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C1.CN1CCCC(CN)C1.
What is the InChIKey of tert-butyl N-[(1-methylpiperidin-3-yl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;(1-methylpiperidin-3-yl)methanamine?
The InChIKey is QWFLZXBSUDGMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O4.C7H16N2/c1-16(2,3)22-14(20)19(15(21)23-17(4,5)6)12-13-9-8-10-18(7)11-13;1-9-4-2-3-7(5-8)6-9/h13H,8-12H2,1-7H3;7H,2-6,8H2,1H3.
What are the key properties of tert-butyl N-[(1-methylpiperidin-3-yl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;(1-methylpiperidin-3-yl)methanamine?
tert-butyl N-[(1-methylpiperidin-3-yl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;(1-methylpiperidin-3-yl)methanamine has a molecular weight of 456.67 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1-methylpiperidin-3-yl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;(1-methylpiperidin-3-yl)methanamine is sourced from PubChem (CID 160536480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).