tert-butyl (3R)-3-(ethylamino)piperidine-3-carboxylate

C12H24N2O2 — CID 93046626

IUPACtert-butyl (3R)-3-(ethylamino)piperidine-3-carboxylate
SMILESCCN[C@]1(C(=O)OC(C)(C)C)CCCNC1
InChIInChI=1S/C12H24N2O2/c1-5-14-12(7-6-8-13-9-12)10(15)16-11(2,3)4/h13-14H,5-9H2,1-4H3/t12-/m1/s1
InChIKeyBGXRAAQPXQUSBH-GFCCVEGCSA-N
MW228.34 g/mol
LogP1.06
Rot. Bonds3

About tert-butyl (3R)-3-(ethylamino)piperidine-3-carboxylate

tert-butyl (3R)-3-(ethylamino)piperidine-3-carboxylate (PubChem CID 93046626) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is tert-butyl (3R)-3-(ethylamino)piperidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-(ethylamino)piperidine-3-carboxylate
PubChem CID93046626
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nametert-butyl (3R)-3-(ethylamino)piperidine-3-carboxylate
SMILESCCN[C@]1(C(=O)OC(C)(C)C)CCCNC1
InChIInChI=1S/C12H24N2O2/c1-5-14-12(7-6-8-13-9-12)10(15)16-11(2,3)4/h13-14H,5-9H2,1-4H3/t12-/m1/s1
InChIKeyBGXRAAQPXQUSBH-GFCCVEGCSA-N
XLogP1.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3S)-3-(methylamino)piperidine-3-carboxylate
CID 52987650
tert-butyl N-(3-ethylpiperidin-3-yl)carbamate
CID 84726051
methyl 1-(ethylamino)cyclododecane-1-carboxylate
CID 60788037
tert-butyl N-[(3-ethylpiperidin-3-yl)methyl]carbamate
CID 84801669
tert-butyl 1-(carbamoylamino)cyclohexane-1-carboxylate
CID 143355257
tert-butyl 1-(5-azaspiro[2.4]heptan-2-ylmethylamino)cyclopropane-1-carboxylate
CID 141111780
tert-butyl 3-propylpyrrolidine-3-carboxylate
CID 63144849
amino 3-(ethylamino)azetidine-3-carboxylate;tert-butyl formate
CID 157494581
(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]azepane-4-carboxylic acid
CID 40630548
2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-3-yl]acetic acid
CID 82379017
3-ethyl-N-[(2-methylpropan-2-yl)oxy]piperidine-3-carboxamide
CID 82724450
methyl 1-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclohexane-1-carboxylate
CID 22080602

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-(ethylamino)piperidine-3-carboxylate?
The IUPAC name of tert-butyl (3R)-3-(ethylamino)piperidine-3-carboxylate (CID 93046626) is tert-butyl (3R)-3-(ethylamino)piperidine-3-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-(ethylamino)piperidine-3-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-(ethylamino)piperidine-3-carboxylate is CCN[C@]1(C(=O)OC(C)(C)C)CCCNC1.
What is the InChIKey of tert-butyl (3R)-3-(ethylamino)piperidine-3-carboxylate?
The InChIKey is BGXRAAQPXQUSBH-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-5-14-12(7-6-8-13-9-12)10(15)16-11(2,3)4/h13-14H,5-9H2,1-4H3/t12-/m1/s1.
What are the key properties of tert-butyl (3R)-3-(ethylamino)piperidine-3-carboxylate?
tert-butyl (3R)-3-(ethylamino)piperidine-3-carboxylate has a molecular weight of 228.34 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-(ethylamino)piperidine-3-carboxylate is sourced from PubChem (CID 93046626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).