tert-butyl (2R)-2-[(1R)-3-hydroxy-1-(propan-2-ylamino)propyl]piperidine-1-carboxylate

C16H32N2O3 — CID 97174956

IUPACtert-butyl (2R)-2-[(1R)-3-hydroxy-1-(propan-2-ylamino)propyl]piperidine-1-carboxylate
SMILESCC(C)N[C@H](CCO)[C@H]1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H32N2O3/c1-12(2)17-13(9-11-19)14-8-6-7-10-18(14)15(20)21-16(3,4)5/h12-14,17,19H,6-11H2,1-5H3/t13-,14-/m1/s1
InChIKeyUOACMWGRWQWMJE-ZIAGYGMSSA-N
MW300.44 g/mol
LogP2.53
Rot. Bonds5

About tert-butyl (2R)-2-[(1R)-3-hydroxy-1-(propan-2-ylamino)propyl]piperidine-1-carboxylate

tert-butyl (2R)-2-[(1R)-3-hydroxy-1-(propan-2-ylamino)propyl]piperidine-1-carboxylate (PubChem CID 97174956) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(1R)-3-hydroxy-1-(propan-2-ylamino)propyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(1R)-3-hydroxy-1-(propan-2-ylamino)propyl]piperidine-1-carboxylate
PubChem CID97174956
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Nametert-butyl (2R)-2-[(1R)-3-hydroxy-1-(propan-2-ylamino)propyl]piperidine-1-carboxylate
SMILESCC(C)N[C@H](CCO)[C@H]1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H32N2O3/c1-12(2)17-13(9-11-19)14-8-6-7-10-18(14)15(20)21-16(3,4)5/h12-14,17,19H,6-11H2,1-5H3/t13-,14-/m1/s1
InChIKeyUOACMWGRWQWMJE-ZIAGYGMSSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2S)-2-[(1R)-1,3-dihydroxypropyl]piperidine-1-carboxylate
CID 97173185
tert-butyl (2R)-2-[(1R)-1-(propan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 97174920
tert-butyl (2R)-2-[(1S)-1-amino-3-hydroxypropyl]piperidine-1-carboxylate
CID 97173182
tert-butyl 2-[(1R)-1-hydroxyethyl]piperidine-1-carboxylate
CID 130691829
tert-butyl (2S)-2-[(1S)-1-hydroxyethyl]piperidine-1-carboxylate
CID 94855628
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]propanoic acid
CID 23091770
tert-butyl 2-(1,2-dihydroxyethyl)piperidine-1-carboxylate
CID 75952896
tert-butyl (2R)-2-[(1S)-1-(ethylamino)ethyl]piperidine-1-carboxylate
CID 97177417
tert-butyl 2-(dihydroxymethyl)piperidine-1-carboxylate
CID 140989424
tert-butyl (2S)-2-[(1R)-1-(dimethylamino)ethyl]piperidine-1-carboxylate
CID 97175237
tert-butyl 3-[(1R)-3-hydroxy-1-(propan-2-ylamino)propyl]azetidine-1-carboxylate
CID 97174990
tert-butyl 2-(1-hydroxy-2,2-dimethylpropyl)piperidine-1-carboxylate
CID 102537940

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(1R)-3-hydroxy-1-(propan-2-ylamino)propyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[(1R)-3-hydroxy-1-(propan-2-ylamino)propyl]piperidine-1-carboxylate (CID 97174956) is tert-butyl (2R)-2-[(1R)-3-hydroxy-1-(propan-2-ylamino)propyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[(1R)-3-hydroxy-1-(propan-2-ylamino)propyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[(1R)-3-hydroxy-1-(propan-2-ylamino)propyl]piperidine-1-carboxylate is CC(C)N[C@H](CCO)[C@H]1CCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-[(1R)-3-hydroxy-1-(propan-2-ylamino)propyl]piperidine-1-carboxylate?
The InChIKey is UOACMWGRWQWMJE-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-12(2)17-13(9-11-19)14-8-6-7-10-18(14)15(20)21-16(3,4)5/h12-14,17,19H,6-11H2,1-5H3/t13-,14-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(1R)-3-hydroxy-1-(propan-2-ylamino)propyl]piperidine-1-carboxylate?
tert-butyl (2R)-2-[(1R)-3-hydroxy-1-(propan-2-ylamino)propyl]piperidine-1-carboxylate has a molecular weight of 300.44 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(1R)-3-hydroxy-1-(propan-2-ylamino)propyl]piperidine-1-carboxylate is sourced from PubChem (CID 97174956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).