ethyl (3S,4R)-4-(dimethylamino)-3-hydroxypiperidine-1-carboxylate

C10H20N2O3 — CID 166437542

IUPACethyl (3S,4R)-4-(dimethylamino)-3-hydroxypiperidine-1-carboxylate
SMILESCCOC(=O)N1CC[C@@H](N(C)C)[C@@H](O)C1
InChIInChI=1S/C10H20N2O3/c1-4-15-10(14)12-6-5-8(11(2)3)9(13)7-12/h8-9,13H,4-7H2,1-3H3/t8-,9+/m1/s1
InChIKeyGUIMIGKABMXQRC-BDAKNGLRSA-N
MW216.28 g/mol
LogP0.14
Rot. Bonds2

About ethyl (3S,4R)-4-(dimethylamino)-3-hydroxypiperidine-1-carboxylate

ethyl (3S,4R)-4-(dimethylamino)-3-hydroxypiperidine-1-carboxylate (PubChem CID 166437542) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is ethyl (3S,4R)-4-(dimethylamino)-3-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl (3S,4R)-4-(dimethylamino)-3-hydroxypiperidine-1-carboxylate
PubChem CID166437542
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Nameethyl (3S,4R)-4-(dimethylamino)-3-hydroxypiperidine-1-carboxylate
SMILESCCOC(=O)N1CC[C@@H](N(C)C)[C@@H](O)C1
InChIInChI=1S/C10H20N2O3/c1-4-15-10(14)12-6-5-8(11(2)3)9(13)7-12/h8-9,13H,4-7H2,1-3H3/t8-,9+/m1/s1
InChIKeyGUIMIGKABMXQRC-BDAKNGLRSA-N
XLogP0.14
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (3S,4R)-4-(dimethylamino)-3-hydroxypiperidine-1-carboxylate?
The IUPAC name of ethyl (3S,4R)-4-(dimethylamino)-3-hydroxypiperidine-1-carboxylate (CID 166437542) is ethyl (3S,4R)-4-(dimethylamino)-3-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for ethyl (3S,4R)-4-(dimethylamino)-3-hydroxypiperidine-1-carboxylate?
The canonical SMILES for ethyl (3S,4R)-4-(dimethylamino)-3-hydroxypiperidine-1-carboxylate is CCOC(=O)N1CC[C@@H](N(C)C)[C@@H](O)C1.
What is the InChIKey of ethyl (3S,4R)-4-(dimethylamino)-3-hydroxypiperidine-1-carboxylate?
The InChIKey is GUIMIGKABMXQRC-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-4-15-10(14)12-6-5-8(11(2)3)9(13)7-12/h8-9,13H,4-7H2,1-3H3/t8-,9+/m1/s1.
What are the key properties of ethyl (3S,4R)-4-(dimethylamino)-3-hydroxypiperidine-1-carboxylate?
ethyl (3S,4R)-4-(dimethylamino)-3-hydroxypiperidine-1-carboxylate has a molecular weight of 216.28 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S,4R)-4-(dimethylamino)-3-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 166437542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).