tert-butyl 4-(4-hydroxybutan-2-ylamino)piperidine-1-carboxylate

C14H28N2O3 — CID 79692176

IUPACtert-butyl 4-(4-hydroxybutan-2-ylamino)piperidine-1-carboxylate
SMILESCC(CCO)NC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H28N2O3/c1-11(7-10-17)15-12-5-8-16(9-6-12)13(18)19-14(2,3)4/h11-12,15,17H,5-10H2,1-4H3
InChIKeyPJPKLIXUZDOYTP-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.75
Rot. Bonds4

About tert-butyl 4-(4-hydroxybutan-2-ylamino)piperidine-1-carboxylate

tert-butyl 4-(4-hydroxybutan-2-ylamino)piperidine-1-carboxylate (PubChem CID 79692176) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is tert-butyl 4-(4-hydroxybutan-2-ylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-hydroxybutan-2-ylamino)piperidine-1-carboxylate
PubChem CID79692176
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Nametert-butyl 4-(4-hydroxybutan-2-ylamino)piperidine-1-carboxylate
SMILESCC(CCO)NC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H28N2O3/c1-11(7-10-17)15-12-5-8-16(9-6-12)13(18)19-14(2,3)4/h11-12,15,17H,5-10H2,1-4H3
InChIKeyPJPKLIXUZDOYTP-UHFFFAOYSA-N
XLogP1.75
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 103980373
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CID 107255030
tert-butyl 3-(1-aminopropan-2-ylamino)pyrrolidine-1-carboxylate
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tert-butyl 4-[1-(cyclohexylamino)propan-2-ylamino]piperidine-1-carboxylate
CID 69113828
tert-butyl 4-(1-cyclopropylethylamino)piperidine-1-carboxylate
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tert-butyl 4-(1,3-dihydroxypropyl)piperidine-1-carboxylate
CID 22293485
tert-butyl 4-[[(1S)-1-cyclopentylethyl]amino]piperidine-1-carboxylate
CID 81389556
tert-butyl 4-(1,1-difluoropropan-2-ylamino)piperidine-1-carboxylate
CID 107241659
2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azepan-4-yl]amino]propanoic acid
CID 103981851
tert-butyl 4-(4-methylpentylamino)piperidine-1-carboxylate
CID 61044256
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CID 107267903

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-hydroxybutan-2-ylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-hydroxybutan-2-ylamino)piperidine-1-carboxylate (CID 79692176) is tert-butyl 4-(4-hydroxybutan-2-ylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-hydroxybutan-2-ylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-hydroxybutan-2-ylamino)piperidine-1-carboxylate is CC(CCO)NC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(4-hydroxybutan-2-ylamino)piperidine-1-carboxylate?
The InChIKey is PJPKLIXUZDOYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-11(7-10-17)15-12-5-8-16(9-6-12)13(18)19-14(2,3)4/h11-12,15,17H,5-10H2,1-4H3.
What are the key properties of tert-butyl 4-(4-hydroxybutan-2-ylamino)piperidine-1-carboxylate?
tert-butyl 4-(4-hydroxybutan-2-ylamino)piperidine-1-carboxylate has a molecular weight of 272.39 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-hydroxybutan-2-ylamino)piperidine-1-carboxylate is sourced from PubChem (CID 79692176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).