tert-butyl 4-[[(2-methyloxolan-2-yl)methylamino]methyl]piperidine-1-carboxylate

C17H32N2O3 — CID 103746913

IUPACtert-butyl 4-[[(2-methyloxolan-2-yl)methylamino]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CNCC2(C)CCCO2)CC1
InChIInChI=1S/C17H32N2O3/c1-16(2,3)22-15(20)19-9-6-14(7-10-19)12-18-13-17(4)8-5-11-21-17/h14,18H,5-13H2,1-4H3
InChIKeyJNXCRUZXMKCTSI-UHFFFAOYSA-N
MW312.45 g/mol
LogP2.79
Rot. Bonds4

About tert-butyl 4-[[(2-methyloxolan-2-yl)methylamino]methyl]piperidine-1-carboxylate

tert-butyl 4-[[(2-methyloxolan-2-yl)methylamino]methyl]piperidine-1-carboxylate (PubChem CID 103746913) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is tert-butyl 4-[[(2-methyloxolan-2-yl)methylamino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[(2-methyloxolan-2-yl)methylamino]methyl]piperidine-1-carboxylate
PubChem CID103746913
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC Nametert-butyl 4-[[(2-methyloxolan-2-yl)methylamino]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CNCC2(C)CCCO2)CC1
InChIInChI=1S/C17H32N2O3/c1-16(2,3)22-15(20)19-9-6-14(7-10-19)12-18-13-17(4)8-5-11-21-17/h14,18H,5-13H2,1-4H3
InChIKeyJNXCRUZXMKCTSI-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 103730249
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CID 103766065
tert-butyl 4-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]piperidine-1-carboxylate
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tert-butyl 4-(ethylaminomethyl)piperidine-1-carboxylate
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2-(cyclopropylmethylamino)-N-[(2-methyloxolan-2-yl)methyl]acetamide;hydrochloride
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tert-butyl 4-[(oxolan-3-ylmethylamino)methyl]piperidine-1-carboxylate
CID 79698015
tert-butyl 4-[(prop-2-ynylamino)methyl]piperidine-1-carboxylate
CID 79699956
tert-butyl 4-(propylaminomethyl)piperidine-1-carboxylate
CID 66960433
tert-butyl 4-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]piperidine-1-carboxylate
CID 103730170
tert-butyl 4-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate
CID 11701760
1-[[(2R)-2-methyloxolan-2-yl]methyl]-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea
CID 99827527
tert-butyl 4-(piperidin-1-yloxymethyl)piperidine-1-carboxylate
CID 175363722

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[(2-methyloxolan-2-yl)methylamino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[(2-methyloxolan-2-yl)methylamino]methyl]piperidine-1-carboxylate (CID 103746913) is tert-butyl 4-[[(2-methyloxolan-2-yl)methylamino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[(2-methyloxolan-2-yl)methylamino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[(2-methyloxolan-2-yl)methylamino]methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CNCC2(C)CCCO2)CC1.
What is the InChIKey of tert-butyl 4-[[(2-methyloxolan-2-yl)methylamino]methyl]piperidine-1-carboxylate?
The InChIKey is JNXCRUZXMKCTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-16(2,3)22-15(20)19-9-6-14(7-10-19)12-18-13-17(4)8-5-11-21-17/h14,18H,5-13H2,1-4H3.
What are the key properties of tert-butyl 4-[[(2-methyloxolan-2-yl)methylamino]methyl]piperidine-1-carboxylate?
tert-butyl 4-[[(2-methyloxolan-2-yl)methylamino]methyl]piperidine-1-carboxylate has a molecular weight of 312.45 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-[[(2-methyloxolan-2-yl)methylamino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 103746913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).