tert-butyl (3R)-3-hydroxypiperidine-1-carboxylate;ethane

C12H25NO3 — CID 73357512

IUPACtert-butyl (3R)-3-hydroxypiperidine-1-carboxylate;ethane
SMILESCC.CC(C)(C)OC(=O)N1CCC[C@@H](O)C1
InChIInChI=1S/C10H19NO3.C2H6/c1-10(2,3)14-9(13)11-6-4-5-8(12)7-11;1-2/h8,12H,4-7H2,1-3H3;1-2H3/t8-;/m1./s1
InChIKeySKBITHFJZJTCMV-DDWIOCJRSA-N
MW231.34 g/mol
LogP2.40
Rot. Bonds

About tert-butyl (3R)-3-hydroxypiperidine-1-carboxylate;ethane

tert-butyl (3R)-3-hydroxypiperidine-1-carboxylate;ethane (PubChem CID 73357512) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is tert-butyl (3R)-3-hydroxypiperidine-1-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl (3R)-3-hydroxypiperidine-1-carboxylate;ethane
PubChem CID73357512
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Nametert-butyl (3R)-3-hydroxypiperidine-1-carboxylate;ethane
SMILESCC.CC(C)(C)OC(=O)N1CCC[C@@H](O)C1
InChIInChI=1S/C10H19NO3.C2H6/c1-10(2,3)14-9(13)11-6-4-5-8(12)7-11;1-2/h8,12H,4-7H2,1-3H3;1-2H3/t8-;/m1./s1
InChIKeySKBITHFJZJTCMV-DDWIOCJRSA-N
XLogP2.40
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-hydroxypiperidine-1-carboxylate;ethane?
The IUPAC name of tert-butyl (3R)-3-hydroxypiperidine-1-carboxylate;ethane (CID 73357512) is tert-butyl (3R)-3-hydroxypiperidine-1-carboxylate;ethane.
What is the SMILES notation for tert-butyl (3R)-3-hydroxypiperidine-1-carboxylate;ethane?
The canonical SMILES for tert-butyl (3R)-3-hydroxypiperidine-1-carboxylate;ethane is CC.CC(C)(C)OC(=O)N1CCC[C@@H](O)C1.
What is the InChIKey of tert-butyl (3R)-3-hydroxypiperidine-1-carboxylate;ethane?
The InChIKey is SKBITHFJZJTCMV-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H19NO3.C2H6/c1-10(2,3)14-9(13)11-6-4-5-8(12)7-11;1-2/h8,12H,4-7H2,1-3H3;1-2H3/t8-;/m1./s1.
What are the key properties of tert-butyl (3R)-3-hydroxypiperidine-1-carboxylate;ethane?
tert-butyl (3R)-3-hydroxypiperidine-1-carboxylate;ethane has a molecular weight of 231.34 g/mol, XLogP of 2.40, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-hydroxypiperidine-1-carboxylate;ethane is sourced from PubChem (CID 73357512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).