tert-butyl 3-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]piperidine-1-carboxylate

C18H36N2O3 — CID 103700546

IUPACtert-butyl 3-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]piperidine-1-carboxylate
SMILESCOC(C)(C)CC(C)NCC1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H36N2O3/c1-14(11-18(5,6)22-7)19-12-15-9-8-10-20(13-15)16(21)23-17(2,3)4/h14-15,19H,8-13H2,1-7H3
InChIKeyMYFRDSPXFGJXDS-UHFFFAOYSA-N
MW328.50 g/mol
LogP3.43
Rot. Bonds6

About tert-butyl 3-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]piperidine-1-carboxylate

tert-butyl 3-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]piperidine-1-carboxylate (PubChem CID 103700546) has the molecular formula C18H36N2O3 and a molecular weight of 328.50 g/mol. Its IUPAC name is tert-butyl 3-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]piperidine-1-carboxylate
PubChem CID103700546
Molecular FormulaC18H36N2O3
Molecular Weight328.50 g/mol
Exact Mass328.27
IUPAC Nametert-butyl 3-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]piperidine-1-carboxylate
SMILESCOC(C)(C)CC(C)NCC1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H36N2O3/c1-14(11-18(5,6)22-7)19-12-15-9-8-10-20(13-15)16(21)23-17(2,3)4/h14-15,19H,8-13H2,1-7H3
InChIKeyMYFRDSPXFGJXDS-UHFFFAOYSA-N
XLogP3.43
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[(1-aminopropan-2-ylamino)methyl]piperidine-1-carboxylate
CID 107246551
tert-butyl 4-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]piperidine-1-carboxylate
CID 103766005
tert-butyl 3-[(hex-5-en-2-ylamino)methyl]piperidine-1-carboxylate
CID 104582153
tert-butyl 3-[(4-methylsulfinylbutan-2-ylamino)methyl]piperidine-1-carboxylate
CID 103766113
tert-butyl 3-[(pentan-2-ylamino)methyl]pyrrolidine-1-carboxylate
CID 104530942
tert-butyl 3-[(5-methylhexan-2-ylamino)methyl]pyrrolidine-1-carboxylate
CID 104538164
tert-butyl 3-[(hex-5-yn-3-ylamino)methyl]piperidine-1-carboxylate
CID 115654861
tert-butyl 3-[[(2-hydroxy-3-methylbutyl)amino]methyl]piperidine-1-carboxylate
CID 111434433
tert-butyl 3-[(2-methylbutanoylamino)methyl]piperidine-1-carboxylate
CID 60618286
tert-butyl 3-[[[(2S)-2-aminopropanoyl]amino]methyl]piperidine-1-carboxylate
CID 66564087
methyl 3-[(propan-2-ylamino)methyl]piperidine-1-carboxylate
CID 63241337
tert-butyl 3-[2-(5,5-dimethylhexan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 114279953

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]piperidine-1-carboxylate (CID 103700546) is tert-butyl 3-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]piperidine-1-carboxylate is COC(C)(C)CC(C)NCC1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]piperidine-1-carboxylate?
The InChIKey is MYFRDSPXFGJXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O3/c1-14(11-18(5,6)22-7)19-12-15-9-8-10-20(13-15)16(21)23-17(2,3)4/h14-15,19H,8-13H2,1-7H3.
What are the key properties of tert-butyl 3-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]piperidine-1-carboxylate?
tert-butyl 3-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]piperidine-1-carboxylate has a molecular weight of 328.50 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 103700546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).