(2Z,3S,5S,6S)-2-(aminomethylidene)-6-methylpiperidine-3,5-diol

C7H14N2O2 — CID 126537601

IUPAC(2Z,3S,5S,6S)-2-(aminomethylidene)-6-methylpiperidine-3,5-diol
SMILESC[C@@H]1N/C(=C\N)[C@@H](O)C[C@@H]1O
InChIInChI=1S/C7H14N2O2/c1-4-6(10)2-7(11)5(3-8)9-4/h3-4,6-7,9-11H,2,8H2,1H3/b5-3-/t4-,6-,7-/m0/s1
InChIKeyOXONLLZTPMOXLY-LQXUUIOKSA-N
MW158.20 g/mol
LogP-1.11
Rot. Bonds

About (2Z,3S,5S,6S)-2-(aminomethylidene)-6-methylpiperidine-3,5-diol

(2Z,3S,5S,6S)-2-(aminomethylidene)-6-methylpiperidine-3,5-diol (PubChem CID 126537601) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is (2Z,3S,5S,6S)-2-(aminomethylidene)-6-methylpiperidine-3,5-diol.

Molecular Properties

Compound Name(2Z,3S,5S,6S)-2-(aminomethylidene)-6-methylpiperidine-3,5-diol
PubChem CID126537601
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name(2Z,3S,5S,6S)-2-(aminomethylidene)-6-methylpiperidine-3,5-diol
SMILESC[C@@H]1N/C(=C\N)[C@@H](O)C[C@@H]1O
InChIInChI=1S/C7H14N2O2/c1-4-6(10)2-7(11)5(3-8)9-4/h3-4,6-7,9-11H,2,8H2,1H3/b5-3-/t4-,6-,7-/m0/s1
InChIKeyOXONLLZTPMOXLY-LQXUUIOKSA-N
XLogP-1.11
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-1.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2Z,3S,5S,6S)-2-(aminomethylidene)-6-methylpiperidine-3,5-diol?
The IUPAC name of (2Z,3S,5S,6S)-2-(aminomethylidene)-6-methylpiperidine-3,5-diol (CID 126537601) is (2Z,3S,5S,6S)-2-(aminomethylidene)-6-methylpiperidine-3,5-diol.
What is the SMILES notation for (2Z,3S,5S,6S)-2-(aminomethylidene)-6-methylpiperidine-3,5-diol?
The canonical SMILES for (2Z,3S,5S,6S)-2-(aminomethylidene)-6-methylpiperidine-3,5-diol is C[C@@H]1N/C(=C\N)[C@@H](O)C[C@@H]1O.
What is the InChIKey of (2Z,3S,5S,6S)-2-(aminomethylidene)-6-methylpiperidine-3,5-diol?
The InChIKey is OXONLLZTPMOXLY-LQXUUIOKSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-4-6(10)2-7(11)5(3-8)9-4/h3-4,6-7,9-11H,2,8H2,1H3/b5-3-/t4-,6-,7-/m0/s1.
What are the key properties of (2Z,3S,5S,6S)-2-(aminomethylidene)-6-methylpiperidine-3,5-diol?
(2Z,3S,5S,6S)-2-(aminomethylidene)-6-methylpiperidine-3,5-diol has a molecular weight of 158.20 g/mol, XLogP of -1.11, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3S,5S,6S)-2-(aminomethylidene)-6-methylpiperidine-3,5-diol is sourced from PubChem (CID 126537601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).