tert-butyl 2-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]piperidine-1-carboxylate

C17H30N2O3 — CID 107094715

IUPACtert-butyl 2-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1CNCC1CCC=CO1
InChIInChI=1S/C17H30N2O3/c1-17(2,3)22-16(20)19-10-6-4-8-14(19)12-18-13-15-9-5-7-11-21-15/h7,11,14-15,18H,4-6,8-10,12-13H2,1-3H3
InChIKeyNGNBXUAAKPNSMB-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.06
Rot. Bonds4

About tert-butyl 2-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]piperidine-1-carboxylate

tert-butyl 2-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]piperidine-1-carboxylate (PubChem CID 107094715) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is tert-butyl 2-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]piperidine-1-carboxylate
PubChem CID107094715
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Nametert-butyl 2-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1CNCC1CCC=CO1
InChIInChI=1S/C17H30N2O3/c1-17(2,3)22-16(20)19-10-6-4-8-14(19)12-18-13-15-9-5-7-11-21-15/h7,11,14-15,18H,4-6,8-10,12-13H2,1-3H3
InChIKeyNGNBXUAAKPNSMB-UHFFFAOYSA-N
XLogP3.06
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S,3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-prop-2-enylazetidin-3-yl] piperazine-1-carboxylate
CID 176037095
tert-butyl 4-[(2-methyl-3H-furan-2-yl)methylamino]piperidine-1-carboxylate
CID 53443720
ethyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxylate
CID 62064539
tert-butyl N-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclohexyl]carbamate
CID 102613513
tert-butyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)azepane-1-carboxylate
CID 102613514
tert-butyl 3-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]piperidine-1-carboxylate
CID 102613518
tert-butyl 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxylate
CID 102613519
tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclopentyl]carbamate
CID 102613520
tert-butyl 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)azetidine-1-carboxylate
CID 102673371
tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)cycloheptyl]carbamate
CID 103082560
Tert-butyl 3-(1-aminobut-3-enyl)morpholine-4-carboxylate
CID 103554336
Tert-butyl 3-(1-aminopent-4-enyl)morpholine-4-carboxylate
CID 103554366

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]piperidine-1-carboxylate (CID 107094715) is tert-butyl 2-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1CNCC1CCC=CO1.
What is the InChIKey of tert-butyl 2-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]piperidine-1-carboxylate?
The InChIKey is NGNBXUAAKPNSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-17(2,3)22-16(20)19-10-6-4-8-14(19)12-18-13-15-9-5-7-11-21-15/h7,11,14-15,18H,4-6,8-10,12-13H2,1-3H3.
What are the key properties of tert-butyl 2-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]piperidine-1-carboxylate?
tert-butyl 2-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]piperidine-1-carboxylate has a molecular weight of 310.44 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 107094715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).