(2S,3S,4S)-1-methylpiperidine-2,3,4-triol

C6H13NO3 — CID 70216582

IUPAC(2S,3S,4S)-1-methylpiperidine-2,3,4-triol
SMILESCN1CC[C@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C6H13NO3/c1-7-3-2-4(8)5(9)6(7)10/h4-6,8-10H,2-3H2,1H3/t4-,5-,6-/m0/s1
InChIKeyVVAQUGLBAVEBFZ-ZLUOBGJFSA-N
MW147.17 g/mol
LogP-1.64
Rot. Bonds

About (2S,3S,4S)-1-methylpiperidine-2,3,4-triol

(2S,3S,4S)-1-methylpiperidine-2,3,4-triol (PubChem CID 70216582) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is (2S,3S,4S)-1-methylpiperidine-2,3,4-triol.

Molecular Properties

Compound Name(2S,3S,4S)-1-methylpiperidine-2,3,4-triol
PubChem CID70216582
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name(2S,3S,4S)-1-methylpiperidine-2,3,4-triol
SMILESCN1CC[C@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C6H13NO3/c1-7-3-2-4(8)5(9)6(7)10/h4-6,8-10H,2-3H2,1H3/t4-,5-,6-/m0/s1
InChIKeyVVAQUGLBAVEBFZ-ZLUOBGJFSA-N
XLogP-1.64
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-1.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S)-1-methylpiperidine-2,3,4-triol?
The IUPAC name of (2S,3S,4S)-1-methylpiperidine-2,3,4-triol (CID 70216582) is (2S,3S,4S)-1-methylpiperidine-2,3,4-triol.
What is the SMILES notation for (2S,3S,4S)-1-methylpiperidine-2,3,4-triol?
The canonical SMILES for (2S,3S,4S)-1-methylpiperidine-2,3,4-triol is CN1CC[C@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4S)-1-methylpiperidine-2,3,4-triol?
The InChIKey is VVAQUGLBAVEBFZ-ZLUOBGJFSA-N. The full InChI is InChI=1S/C6H13NO3/c1-7-3-2-4(8)5(9)6(7)10/h4-6,8-10H,2-3H2,1H3/t4-,5-,6-/m0/s1.
What are the key properties of (2S,3S,4S)-1-methylpiperidine-2,3,4-triol?
(2S,3S,4S)-1-methylpiperidine-2,3,4-triol has a molecular weight of 147.17 g/mol, XLogP of -1.64, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S)-1-methylpiperidine-2,3,4-triol is sourced from PubChem (CID 70216582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).