(3R,6S)-4-ethenyl-2-(hydroxymethyl)-6-methyl-5-(methylamino)piperidin-3-ol

C10H20N2O2 — CID 163420973

IUPAC(3R,6S)-4-ethenyl-2-(hydroxymethyl)-6-methyl-5-(methylamino)piperidin-3-ol
SMILESC=CC1C(NC)[C@H](C)NC(CO)[C@@H]1O
InChIInChI=1S/C10H20N2O2/c1-4-7-9(11-3)6(2)12-8(5-13)10(7)14/h4,6-14H,1,5H2,2-3H3/t6-,7?,8?,9?,10+/m0/s1
InChIKeyAIKUKAXQPZPQSQ-HRLXQSQDSA-N
MW200.28 g/mol
LogP-0.91
Rot. Bonds3

About (3R,6S)-4-ethenyl-2-(hydroxymethyl)-6-methyl-5-(methylamino)piperidin-3-ol

(3R,6S)-4-ethenyl-2-(hydroxymethyl)-6-methyl-5-(methylamino)piperidin-3-ol (PubChem CID 163420973) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (3R,6S)-4-ethenyl-2-(hydroxymethyl)-6-methyl-5-(methylamino)piperidin-3-ol.

Molecular Properties

Compound Name(3R,6S)-4-ethenyl-2-(hydroxymethyl)-6-methyl-5-(methylamino)piperidin-3-ol
PubChem CID163420973
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name(3R,6S)-4-ethenyl-2-(hydroxymethyl)-6-methyl-5-(methylamino)piperidin-3-ol
SMILESC=CC1C(NC)[C@H](C)NC(CO)[C@@H]1O
InChIInChI=1S/C10H20N2O2/c1-4-7-9(11-3)6(2)12-8(5-13)10(7)14/h4,6-14H,1,5H2,2-3H3/t6-,7?,8?,9?,10+/m0/s1
InChIKeyAIKUKAXQPZPQSQ-HRLXQSQDSA-N
XLogP-0.91
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-0.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,6S)-4-ethenyl-2-(hydroxymethyl)-6-methyl-5-(methylamino)piperidin-3-ol?
The IUPAC name of (3R,6S)-4-ethenyl-2-(hydroxymethyl)-6-methyl-5-(methylamino)piperidin-3-ol (CID 163420973) is (3R,6S)-4-ethenyl-2-(hydroxymethyl)-6-methyl-5-(methylamino)piperidin-3-ol.
What is the SMILES notation for (3R,6S)-4-ethenyl-2-(hydroxymethyl)-6-methyl-5-(methylamino)piperidin-3-ol?
The canonical SMILES for (3R,6S)-4-ethenyl-2-(hydroxymethyl)-6-methyl-5-(methylamino)piperidin-3-ol is C=CC1C(NC)[C@H](C)NC(CO)[C@@H]1O.
What is the InChIKey of (3R,6S)-4-ethenyl-2-(hydroxymethyl)-6-methyl-5-(methylamino)piperidin-3-ol?
The InChIKey is AIKUKAXQPZPQSQ-HRLXQSQDSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-4-7-9(11-3)6(2)12-8(5-13)10(7)14/h4,6-14H,1,5H2,2-3H3/t6-,7?,8?,9?,10+/m0/s1.
What are the key properties of (3R,6S)-4-ethenyl-2-(hydroxymethyl)-6-methyl-5-(methylamino)piperidin-3-ol?
(3R,6S)-4-ethenyl-2-(hydroxymethyl)-6-methyl-5-(methylamino)piperidin-3-ol has a molecular weight of 200.28 g/mol, XLogP of -0.91, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-4-ethenyl-2-(hydroxymethyl)-6-methyl-5-(methylamino)piperidin-3-ol is sourced from PubChem (CID 163420973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).