(2S,3R,4R,5R,6S)-2-(aminomethyl)-6-methylpiperidine-3,4,5-triol

C7H16N2O3 — CID 10420740

IUPAC(2S,3R,4R,5R,6S)-2-(aminomethyl)-6-methylpiperidine-3,4,5-triol
SMILESC[C@@H]1N[C@@H](CN)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C7H16N2O3/c1-3-5(10)7(12)6(11)4(2-8)9-3/h3-7,9-12H,2,8H2,1H3/t3-,4-,5+,6+,7+/m0/s1
InChIKeyAKIVXVRDQKFDJC-PAMBMQIZSA-N
MW176.22 g/mol
LogP-2.61
Rot. Bonds1

About (2S,3R,4R,5R,6S)-2-(aminomethyl)-6-methylpiperidine-3,4,5-triol

(2S,3R,4R,5R,6S)-2-(aminomethyl)-6-methylpiperidine-3,4,5-triol (PubChem CID 10420740) has the molecular formula C7H16N2O3 and a molecular weight of 176.22 g/mol. Its IUPAC name is (2S,3R,4R,5R,6S)-2-(aminomethyl)-6-methylpiperidine-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4R,5R,6S)-2-(aminomethyl)-6-methylpiperidine-3,4,5-triol
PubChem CID10420740
Molecular FormulaC7H16N2O3
Molecular Weight176.22 g/mol
Exact Mass176.12
IUPAC Name(2S,3R,4R,5R,6S)-2-(aminomethyl)-6-methylpiperidine-3,4,5-triol
SMILESC[C@@H]1N[C@@H](CN)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C7H16N2O3/c1-3-5(10)7(12)6(11)4(2-8)9-3/h3-7,9-12H,2,8H2,1H3/t3-,4-,5+,6+,7+/m0/s1
InChIKeyAKIVXVRDQKFDJC-PAMBMQIZSA-N
XLogP-2.61
TPSA98.74 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 5-2.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R,6S)-2-(aminomethyl)-6-methylpiperidine-3,4,5-triol?
The IUPAC name of (2S,3R,4R,5R,6S)-2-(aminomethyl)-6-methylpiperidine-3,4,5-triol (CID 10420740) is (2S,3R,4R,5R,6S)-2-(aminomethyl)-6-methylpiperidine-3,4,5-triol.
What is the SMILES notation for (2S,3R,4R,5R,6S)-2-(aminomethyl)-6-methylpiperidine-3,4,5-triol?
The canonical SMILES for (2S,3R,4R,5R,6S)-2-(aminomethyl)-6-methylpiperidine-3,4,5-triol is C[C@@H]1N[C@@H](CN)[C@@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of (2S,3R,4R,5R,6S)-2-(aminomethyl)-6-methylpiperidine-3,4,5-triol?
The InChIKey is AKIVXVRDQKFDJC-PAMBMQIZSA-N. The full InChI is InChI=1S/C7H16N2O3/c1-3-5(10)7(12)6(11)4(2-8)9-3/h3-7,9-12H,2,8H2,1H3/t3-,4-,5+,6+,7+/m0/s1.
What are the key properties of (2S,3R,4R,5R,6S)-2-(aminomethyl)-6-methylpiperidine-3,4,5-triol?
(2S,3R,4R,5R,6S)-2-(aminomethyl)-6-methylpiperidine-3,4,5-triol has a molecular weight of 176.22 g/mol, XLogP of -2.61, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R,6S)-2-(aminomethyl)-6-methylpiperidine-3,4,5-triol is sourced from PubChem (CID 10420740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).