[(3S,4S)-3-hydroxy-1-(2-methylpropyl)piperidin-4-yl] carbamate

C10H20N2O3 — CID 67426496

IUPAC[(3S,4S)-3-hydroxy-1-(2-methylpropyl)piperidin-4-yl] carbamate
SMILESCC(C)CN1CC[C@H](OC(N)=O)[C@@H](O)C1
InChIInChI=1S/C10H20N2O3/c1-7(2)5-12-4-3-9(8(13)6-12)15-10(11)14/h7-9,13H,3-6H2,1-2H3,(H2,11,14)/t8-,9-/m0/s1
InChIKeyAOLFSEJQYQMJLW-IUCAKERBSA-N
MW216.28 g/mol
LogP0.17
Rot. Bonds3

About [(3S,4S)-3-hydroxy-1-(2-methylpropyl)piperidin-4-yl] carbamate

[(3S,4S)-3-hydroxy-1-(2-methylpropyl)piperidin-4-yl] carbamate (PubChem CID 67426496) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is [(3S,4S)-3-hydroxy-1-(2-methylpropyl)piperidin-4-yl] carbamate.

Molecular Properties

Compound Name[(3S,4S)-3-hydroxy-1-(2-methylpropyl)piperidin-4-yl] carbamate
PubChem CID67426496
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name[(3S,4S)-3-hydroxy-1-(2-methylpropyl)piperidin-4-yl] carbamate
SMILESCC(C)CN1CC[C@H](OC(N)=O)[C@@H](O)C1
InChIInChI=1S/C10H20N2O3/c1-7(2)5-12-4-3-9(8(13)6-12)15-10(11)14/h7-9,13H,3-6H2,1-2H3,(H2,11,14)/t8-,9-/m0/s1
InChIKeyAOLFSEJQYQMJLW-IUCAKERBSA-N
XLogP0.17
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(hydroxymethyl)-1-(2-methylpropyl)piperidin-3-ol
CID 130703735
[1-(3-methylbutyl)pyrrolidin-3-yl] carbamate
CID 174922381
(3R,4R)-3-fluoro-1-(2-methylpropyl)piperidin-4-ol
CID 176977042
3-chloro-1-(2-methylpropyl)pyrrolidine
CID 19819767
methyl 2-amino-3-[1-(2-methylpropyl)pyrrolidin-3-yl]propanoate
CID 83981066
ethyl 3-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-methylpropanoate
CID 79410419
1-cyclopropyl-2-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]ethanone
CID 165387278
[(1R,2S)-2-hydroxycyclopentyl] carbamate
CID 175128754
[(3S,4S)-1-(2-hydroxypropyl)-3-methylpiperidin-4-yl] 2,2-dimethylpropanoate
CID 66841392
(3R)-1-(2-methylpropyl)azepan-3-ol
CID 171752832
[1-(2-methylpropyl)piperidin-4-yl]methyl 3-methylbutanoate
CID 176612204
1-[4-[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one
CID 156707530

Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-3-hydroxy-1-(2-methylpropyl)piperidin-4-yl] carbamate?
The IUPAC name of [(3S,4S)-3-hydroxy-1-(2-methylpropyl)piperidin-4-yl] carbamate (CID 67426496) is [(3S,4S)-3-hydroxy-1-(2-methylpropyl)piperidin-4-yl] carbamate.
What is the SMILES notation for [(3S,4S)-3-hydroxy-1-(2-methylpropyl)piperidin-4-yl] carbamate?
The canonical SMILES for [(3S,4S)-3-hydroxy-1-(2-methylpropyl)piperidin-4-yl] carbamate is CC(C)CN1CC[C@H](OC(N)=O)[C@@H](O)C1.
What is the InChIKey of [(3S,4S)-3-hydroxy-1-(2-methylpropyl)piperidin-4-yl] carbamate?
The InChIKey is AOLFSEJQYQMJLW-IUCAKERBSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-7(2)5-12-4-3-9(8(13)6-12)15-10(11)14/h7-9,13H,3-6H2,1-2H3,(H2,11,14)/t8-,9-/m0/s1.
What are the key properties of [(3S,4S)-3-hydroxy-1-(2-methylpropyl)piperidin-4-yl] carbamate?
[(3S,4S)-3-hydroxy-1-(2-methylpropyl)piperidin-4-yl] carbamate has a molecular weight of 216.28 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-3-hydroxy-1-(2-methylpropyl)piperidin-4-yl] carbamate is sourced from PubChem (CID 67426496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).