tert-butyl 4-(3-methoxybutan-2-ylamino)-2-methylpiperidine-1-carboxylate

C16H32N2O3 — CID 107094441

IUPACtert-butyl 4-(3-methoxybutan-2-ylamino)-2-methylpiperidine-1-carboxylate
SMILESCOC(C)C(C)NC1CCN(C(=O)OC(C)(C)C)C(C)C1
InChIInChI=1S/C16H32N2O3/c1-11-10-14(17-12(2)13(3)20-7)8-9-18(11)15(19)21-16(4,5)6/h11-14,17H,8-10H2,1-7H3
InChIKeyDCHCVBSFBUKKLY-UHFFFAOYSA-N
MW300.44 g/mol
LogP2.79
Rot. Bonds4

About tert-butyl 4-(3-methoxybutan-2-ylamino)-2-methylpiperidine-1-carboxylate

tert-butyl 4-(3-methoxybutan-2-ylamino)-2-methylpiperidine-1-carboxylate (PubChem CID 107094441) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is tert-butyl 4-(3-methoxybutan-2-ylamino)-2-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-methoxybutan-2-ylamino)-2-methylpiperidine-1-carboxylate
PubChem CID107094441
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Nametert-butyl 4-(3-methoxybutan-2-ylamino)-2-methylpiperidine-1-carboxylate
SMILESCOC(C)C(C)NC1CCN(C(=O)OC(C)(C)C)C(C)C1
InChIInChI=1S/C16H32N2O3/c1-11-10-14(17-12(2)13(3)20-7)8-9-18(11)15(19)21-16(4,5)6/h11-14,17H,8-10H2,1-7H3
InChIKeyDCHCVBSFBUKKLY-UHFFFAOYSA-N
XLogP2.79
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 95913489
tert-butyl 2-methyl-4-[1-(1H-pyrazol-5-yl)ethylamino]piperidine-1-carboxylate
CID 107255144
tert-butyl 4-(cycloheptylamino)-2-methylpiperidine-1-carboxylate
CID 107094439
tert-butyl 2-methyl-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]piperidine-1-carboxylate
CID 107094437
tert-butyl 2-methyl-4-(oxan-4-ylamino)piperidine-1-carboxylate
CID 107094474
tert-butyl (2R,4S)-4-hydroxy-2-methylpiperidine-1-carboxylate
CID 18653318
tert-butyl (2S)-4-tert-butyl-2-methylpiperidine-1-carboxylate
CID 102268017
tert-butyl (2S)-4-iodo-2-methylpiperidine-1-carboxylate
CID 175815373
tert-butyl 2-methyl-4-(piperidin-4-ylmethylamino)piperidine-1-carboxylate
CID 107255197
tert-butyl 2-methyl-4-[(2-methylthian-3-yl)amino]piperidine-1-carboxylate
CID 107255183
tert-butyl (2R,4S)-4-ethynyl-2-methylpiperidine-1-carboxylate
CID 125425976
tert-butyl 2-methyl-4-[(1-methylpiperidin-3-yl)methylamino]piperidine-1-carboxylate
CID 107255145

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-methoxybutan-2-ylamino)-2-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-methoxybutan-2-ylamino)-2-methylpiperidine-1-carboxylate (CID 107094441) is tert-butyl 4-(3-methoxybutan-2-ylamino)-2-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-methoxybutan-2-ylamino)-2-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-methoxybutan-2-ylamino)-2-methylpiperidine-1-carboxylate is COC(C)C(C)NC1CCN(C(=O)OC(C)(C)C)C(C)C1.
What is the InChIKey of tert-butyl 4-(3-methoxybutan-2-ylamino)-2-methylpiperidine-1-carboxylate?
The InChIKey is DCHCVBSFBUKKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-11-10-14(17-12(2)13(3)20-7)8-9-18(11)15(19)21-16(4,5)6/h11-14,17H,8-10H2,1-7H3.
What are the key properties of tert-butyl 4-(3-methoxybutan-2-ylamino)-2-methylpiperidine-1-carboxylate?
tert-butyl 4-(3-methoxybutan-2-ylamino)-2-methylpiperidine-1-carboxylate has a molecular weight of 300.44 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-methoxybutan-2-ylamino)-2-methylpiperidine-1-carboxylate is sourced from PubChem (CID 107094441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).