(2S,3S,4R,5R)-5-(aminomethyl)-2-(hydroxymethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)oxolan-3-ol

C15H24N4O3 — CID 28962016

IUPAC(2S,3S,4R,5R)-5-(aminomethyl)-2-(hydroxymethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)oxolan-3-ol
SMILESNC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H24N4O3/c16-9-11-14(15(21)12(10-20)22-11)19-7-5-18(6-8-19)13-3-1-2-4-17-13/h1-4,11-12,14-15,20-21H,5-10,16H2/t11-,12+,14+,15-/m1/s1
InChIKeyAXEGARMICGZYMW-PAPYEOQZSA-N
MW308.38 g/mol
LogP-1.35
Rot. Bonds4

About (2S,3S,4R,5R)-5-(aminomethyl)-2-(hydroxymethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)oxolan-3-ol

(2S,3S,4R,5R)-5-(aminomethyl)-2-(hydroxymethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)oxolan-3-ol (PubChem CID 28962016) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is (2S,3S,4R,5R)-5-(aminomethyl)-2-(hydroxymethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)oxolan-3-ol.

Molecular Properties

Compound Name(2S,3S,4R,5R)-5-(aminomethyl)-2-(hydroxymethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)oxolan-3-ol
PubChem CID28962016
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name(2S,3S,4R,5R)-5-(aminomethyl)-2-(hydroxymethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)oxolan-3-ol
SMILESNC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H24N4O3/c16-9-11-14(15(21)12(10-20)22-11)19-7-5-18(6-8-19)13-3-1-2-4-17-13/h1-4,11-12,14-15,20-21H,5-10,16H2/t11-,12+,14+,15-/m1/s1
InChIKeyAXEGARMICGZYMW-PAPYEOQZSA-N
XLogP-1.35
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R)-5-(aminomethyl)-2-(hydroxymethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)oxolan-3-ol?
The IUPAC name of (2S,3S,4R,5R)-5-(aminomethyl)-2-(hydroxymethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)oxolan-3-ol (CID 28962016) is (2S,3S,4R,5R)-5-(aminomethyl)-2-(hydroxymethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)oxolan-3-ol.
What is the SMILES notation for (2S,3S,4R,5R)-5-(aminomethyl)-2-(hydroxymethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)oxolan-3-ol?
The canonical SMILES for (2S,3S,4R,5R)-5-(aminomethyl)-2-(hydroxymethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)oxolan-3-ol is NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCN(c2ccccn2)CC1.
What is the InChIKey of (2S,3S,4R,5R)-5-(aminomethyl)-2-(hydroxymethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)oxolan-3-ol?
The InChIKey is AXEGARMICGZYMW-PAPYEOQZSA-N. The full InChI is InChI=1S/C15H24N4O3/c16-9-11-14(15(21)12(10-20)22-11)19-7-5-18(6-8-19)13-3-1-2-4-17-13/h1-4,11-12,14-15,20-21H,5-10,16H2/t11-,12+,14+,15-/m1/s1.
What are the key properties of (2S,3S,4R,5R)-5-(aminomethyl)-2-(hydroxymethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)oxolan-3-ol?
(2S,3S,4R,5R)-5-(aminomethyl)-2-(hydroxymethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)oxolan-3-ol has a molecular weight of 308.38 g/mol, XLogP of -1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R)-5-(aminomethyl)-2-(hydroxymethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)oxolan-3-ol is sourced from PubChem (CID 28962016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).