tert-butyl 3-[1-[[(2S)-1-hydroxybutan-2-yl]amino]ethyl]piperidine-1-carboxylate

C16H32N2O3 — CID 104980417

IUPACtert-butyl 3-[1-[[(2S)-1-hydroxybutan-2-yl]amino]ethyl]piperidine-1-carboxylate
SMILESCC[C@@H](CO)NC(C)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H32N2O3/c1-6-14(11-19)17-12(2)13-8-7-9-18(10-13)15(20)21-16(3,4)5/h12-14,17,19H,6-11H2,1-5H3/t12?,13?,14-/m0/s1
InChIKeyVUIHBBXSZVWOSY-RUXDESIVSA-N
MW300.44 g/mol
LogP2.38
Rot. Bonds5

About tert-butyl 3-[1-[[(2S)-1-hydroxybutan-2-yl]amino]ethyl]piperidine-1-carboxylate

tert-butyl 3-[1-[[(2S)-1-hydroxybutan-2-yl]amino]ethyl]piperidine-1-carboxylate (PubChem CID 104980417) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is tert-butyl 3-[1-[[(2S)-1-hydroxybutan-2-yl]amino]ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[1-[[(2S)-1-hydroxybutan-2-yl]amino]ethyl]piperidine-1-carboxylate
PubChem CID104980417
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Nametert-butyl 3-[1-[[(2S)-1-hydroxybutan-2-yl]amino]ethyl]piperidine-1-carboxylate
SMILESCC[C@@H](CO)NC(C)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H32N2O3/c1-6-14(11-19)17-12(2)13-8-7-9-18(10-13)15(20)21-16(3,4)5/h12-14,17,19H,6-11H2,1-5H3/t12?,13?,14-/m0/s1
InChIKeyVUIHBBXSZVWOSY-RUXDESIVSA-N
XLogP2.38
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[1-(1,3-dihydroxypropan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 65312713
tert-butyl 3-[1-[(4-hydroxy-3-methylbutan-2-yl)amino]ethyl]piperidine-1-carboxylate
CID 103948438
tert-butyl 3-[1-(propan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 55212997
tert-butyl 3-[1-(ethoxyamino)ethyl]piperidine-1-carboxylate
CID 82709755
tert-butyl 3-[1-(1,1-difluoropropan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 107247336
tert-butyl 3-[1-(1-ethylsulfanylpropan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 103948614
tert-butyl 3-[1-(octan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 113232684
tert-butyl 3-[1-[(1-hydroxy-2-methylbutan-2-yl)amino]ethyl]piperidine-1-carboxylate
CID 103680604
tert-butyl 3-[1-(2,2-dimethylbutylamino)ethyl]piperidine-1-carboxylate
CID 103460936
tert-butyl 3-[1-(cyclohexylamino)ethyl]piperidine-1-carboxylate
CID 103649308
tert-butyl 3-[1-(2-methylpentan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 103949617
2-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]ethylamino]acetic acid
CID 63586245

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[1-[[(2S)-1-hydroxybutan-2-yl]amino]ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[1-[[(2S)-1-hydroxybutan-2-yl]amino]ethyl]piperidine-1-carboxylate (CID 104980417) is tert-butyl 3-[1-[[(2S)-1-hydroxybutan-2-yl]amino]ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[1-[[(2S)-1-hydroxybutan-2-yl]amino]ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[1-[[(2S)-1-hydroxybutan-2-yl]amino]ethyl]piperidine-1-carboxylate is CC[C@@H](CO)NC(C)C1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[1-[[(2S)-1-hydroxybutan-2-yl]amino]ethyl]piperidine-1-carboxylate?
The InChIKey is VUIHBBXSZVWOSY-RUXDESIVSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-6-14(11-19)17-12(2)13-8-7-9-18(10-13)15(20)21-16(3,4)5/h12-14,17,19H,6-11H2,1-5H3/t12?,13?,14-/m0/s1.
What are the key properties of tert-butyl 3-[1-[[(2S)-1-hydroxybutan-2-yl]amino]ethyl]piperidine-1-carboxylate?
tert-butyl 3-[1-[[(2S)-1-hydroxybutan-2-yl]amino]ethyl]piperidine-1-carboxylate has a molecular weight of 300.44 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[1-[[(2S)-1-hydroxybutan-2-yl]amino]ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 104980417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).