tert-butyl 4-[[2-(3-methylbutoxy)ethylamino]methyl]piperidine-1-carboxylate

C18H36N2O3 — CID 103730217

IUPACtert-butyl 4-[[2-(3-methylbutoxy)ethylamino]methyl]piperidine-1-carboxylate
SMILESCC(C)CCOCCNCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H36N2O3/c1-15(2)8-12-22-13-9-19-14-16-6-10-20(11-7-16)17(21)23-18(3,4)5/h15-16,19H,6-14H2,1-5H3
InChIKeyNHXPORDOBREJLA-UHFFFAOYSA-N
MW328.50 g/mol
LogP3.29
Rot. Bonds8

About tert-butyl 4-[[2-(3-methylbutoxy)ethylamino]methyl]piperidine-1-carboxylate

tert-butyl 4-[[2-(3-methylbutoxy)ethylamino]methyl]piperidine-1-carboxylate (PubChem CID 103730217) has the molecular formula C18H36N2O3 and a molecular weight of 328.50 g/mol. Its IUPAC name is tert-butyl 4-[[2-(3-methylbutoxy)ethylamino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[2-(3-methylbutoxy)ethylamino]methyl]piperidine-1-carboxylate
PubChem CID103730217
Molecular FormulaC18H36N2O3
Molecular Weight328.50 g/mol
Exact Mass328.27
IUPAC Nametert-butyl 4-[[2-(3-methylbutoxy)ethylamino]methyl]piperidine-1-carboxylate
SMILESCC(C)CCOCCNCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H36N2O3/c1-15(2)8-12-22-13-9-19-14-16-6-10-20(11-7-16)17(21)23-18(3,4)5/h15-16,19H,6-14H2,1-5H3
InChIKeyNHXPORDOBREJLA-UHFFFAOYSA-N
XLogP3.29
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-methyl-N-(piperidin-4-ylmethyl)carbamate
CID 23004743
tert-Butyl 4-((methylamino)methyl)piperidine-1-carboxylate
CID 21934652
tert-butyl N-ethyl-N-(piperidin-4-ylmethyl)carbamate
CID 19691413
Tert-butyl 4-(aminomethyl)-3-methoxypiperidine-1-carboxylate
CID 22708830
tert-butyl N-methyl-N-[2-(piperidin-4-yl)ethyl]carbamate
CID 23297746
tert-Butyl 4-[2-(methylamino)ethyl]piperidine-1-carboxylate
CID 46835695
Tert-butyl 4-((ethylamino)methyl)piperidine-1-carboxylate
CID 53249196
tert-Butyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
CID 53302318
tert-Butyl 1-oxa-4,9-diazaspiro(5.5)undecane-4-carboxylate
CID 53439217
Tert-butyl 4-methoxy-4-((methylamino)methyl)piperidine-1-carboxylate
CID 58906435
tert-Butyl 4-oxa-1,9-diazaspiro[5.5]undecane-9-carboxylate
CID 67991811
Tert-butyl 4-(morpholin-2-yl)piperidine-1-carboxylate
CID 82379218

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[2-(3-methylbutoxy)ethylamino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[2-(3-methylbutoxy)ethylamino]methyl]piperidine-1-carboxylate (CID 103730217) is tert-butyl 4-[[2-(3-methylbutoxy)ethylamino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[2-(3-methylbutoxy)ethylamino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[2-(3-methylbutoxy)ethylamino]methyl]piperidine-1-carboxylate is CC(C)CCOCCNCC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[[2-(3-methylbutoxy)ethylamino]methyl]piperidine-1-carboxylate?
The InChIKey is NHXPORDOBREJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O3/c1-15(2)8-12-22-13-9-19-14-16-6-10-20(11-7-16)17(21)23-18(3,4)5/h15-16,19H,6-14H2,1-5H3.
What are the key properties of tert-butyl 4-[[2-(3-methylbutoxy)ethylamino]methyl]piperidine-1-carboxylate?
tert-butyl 4-[[2-(3-methylbutoxy)ethylamino]methyl]piperidine-1-carboxylate has a molecular weight of 328.50 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[2-(3-methylbutoxy)ethylamino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 103730217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).