tert-butyl 2-[(oxan-2-ylmethylamino)methyl]piperidine-1-carboxylate

C17H32N2O3 — CID 106633797

IUPACtert-butyl 2-[(oxan-2-ylmethylamino)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1CNCC1CCCCO1
InChIInChI=1S/C17H32N2O3/c1-17(2,3)22-16(20)19-10-6-4-8-14(19)12-18-13-15-9-5-7-11-21-15/h14-15,18H,4-13H2,1-3H3
InChIKeyNCRCEVTUSYUPLI-UHFFFAOYSA-N
MW312.45 g/mol
LogP2.93
Rot. Bonds4

About tert-butyl 2-[(oxan-2-ylmethylamino)methyl]piperidine-1-carboxylate

tert-butyl 2-[(oxan-2-ylmethylamino)methyl]piperidine-1-carboxylate (PubChem CID 106633797) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is tert-butyl 2-[(oxan-2-ylmethylamino)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(oxan-2-ylmethylamino)methyl]piperidine-1-carboxylate
PubChem CID106633797
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC Nametert-butyl 2-[(oxan-2-ylmethylamino)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1CNCC1CCCCO1
InChIInChI=1S/C17H32N2O3/c1-17(2,3)22-16(20)19-10-6-4-8-14(19)12-18-13-15-9-5-7-11-21-15/h14-15,18H,4-13H2,1-3H3
InChIKeyNCRCEVTUSYUPLI-UHFFFAOYSA-N
XLogP2.93
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[[[(2R)-oxolan-2-yl]methylamino]methyl]azetidine-1-carboxylate
CID 138014225
tert-butyl 2-[(oxolan-3-ylmethylamino)methyl]piperidine-1-carboxylate
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tert-butyl 2-[(piperidin-4-ylmethylamino)methyl]piperidine-1-carboxylate
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tert-butyl 2-[(tert-butylamino)methyl]piperidine-1-carboxylate
CID 106632784
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CID 106633029
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CID 71936823
tert-butyl (2R)-2-[(propan-2-ylamino)methyl]piperidine-1-carboxylate
CID 86329026
tert-butyl 2-[(3-methylbutylamino)methyl]piperidine-1-carboxylate
CID 106632857
tert-butyl 2-[[(3-methoxy-3-oxopropyl)amino]methyl]piperidine-1-carboxylate
CID 106633105
tert-butyl 2-[[(2-hydroxy-4-methylpentyl)amino]methyl]piperidine-1-carboxylate
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tert-butyl 2-[(cyclohex-3-en-1-ylmethylamino)methyl]piperidine-1-carboxylate
CID 106633840
tert-butyl 2-[[(2-cyano-2-methylpropyl)amino]methyl]piperidine-1-carboxylate
CID 106634472

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(oxan-2-ylmethylamino)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[(oxan-2-ylmethylamino)methyl]piperidine-1-carboxylate (CID 106633797) is tert-butyl 2-[(oxan-2-ylmethylamino)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[(oxan-2-ylmethylamino)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[(oxan-2-ylmethylamino)methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1CNCC1CCCCO1.
What is the InChIKey of tert-butyl 2-[(oxan-2-ylmethylamino)methyl]piperidine-1-carboxylate?
The InChIKey is NCRCEVTUSYUPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-17(2,3)22-16(20)19-10-6-4-8-14(19)12-18-13-15-9-5-7-11-21-15/h14-15,18H,4-13H2,1-3H3.
What are the key properties of tert-butyl 2-[(oxan-2-ylmethylamino)methyl]piperidine-1-carboxylate?
tert-butyl 2-[(oxan-2-ylmethylamino)methyl]piperidine-1-carboxylate has a molecular weight of 312.45 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(oxan-2-ylmethylamino)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 106633797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).