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

C18H32N2O3 — CID 102613518

IUPACtert-butyl 3-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]piperidine-1-carboxylate
SMILESCC(NCC1CCC=CO1)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H32N2O3/c1-14(19-12-16-9-5-6-11-22-16)15-8-7-10-20(13-15)17(21)23-18(2,3)4/h6,11,14-16,19H,5,7-10,12-13H2,1-4H3
InChIKeyFXBPUNNFCCOGGN-UHFFFAOYSA-N
MW324.46 g/mol
LogP3.30
Rot. Bonds4

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

tert-butyl 3-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]piperidine-1-carboxylate (PubChem CID 102613518) has the molecular formula C18H32N2O3 and a molecular weight of 324.46 g/mol. Its IUPAC name is tert-butyl 3-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]piperidine-1-carboxylate
PubChem CID102613518
Molecular FormulaC18H32N2O3
Molecular Weight324.46 g/mol
Exact Mass324.24
IUPAC Nametert-butyl 3-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]piperidine-1-carboxylate
SMILESCC(NCC1CCC=CO1)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H32N2O3/c1-14(19-12-16-9-5-6-11-22-16)15-8-7-10-20(13-15)17(21)23-18(2,3)4/h6,11,14-16,19H,5,7-10,12-13H2,1-4H3
InChIKeyFXBPUNNFCCOGGN-UHFFFAOYSA-N
XLogP3.30
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[[[(3R)-3-amino-3,4-dihydro-2H-pyran-6-yl]methylamino]methyl]piperidine-1-carboxylate
CID 126745416
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CID 169632745
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 N-[[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclopentyl]methyl]carbamate
CID 102613515
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)cyclohexyl]methyl]carbamate
CID 102613522
Tert-butyl 3-[1-(2-but-3-enoxyethylamino)ethyl]piperidine-1-carboxylate
CID 103949464
Tert-butyl 3-[1-(hex-5-en-2-ylamino)ethyl]piperidine-1-carboxylate
CID 104578118
Tert-butyl 3-[2-(hex-5-en-2-ylamino)ethyl]piperidine-1-carboxylate
CID 104582368

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]piperidine-1-carboxylate (CID 102613518) is tert-butyl 3-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]piperidine-1-carboxylate is CC(NCC1CCC=CO1)C1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]piperidine-1-carboxylate?
The InChIKey is FXBPUNNFCCOGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3/c1-14(19-12-16-9-5-6-11-22-16)15-8-7-10-20(13-15)17(21)23-18(2,3)4/h6,11,14-16,19H,5,7-10,12-13H2,1-4H3.
What are the key properties of tert-butyl 3-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]piperidine-1-carboxylate?
tert-butyl 3-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]piperidine-1-carboxylate has a molecular weight of 324.46 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 102613518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).