2-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]pyridine-3-carbonitrile

C16H22N4O2 — CID 56877761

IUPAC2-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CC[C@@H](N2CCC(O)CC2)[C@H](O)C1
InChIInChI=1S/C16H22N4O2/c17-10-12-2-1-6-18-16(12)20-9-5-14(15(22)11-20)19-7-3-13(21)4-8-19/h1-2,6,13-15,21-22H,3-5,7-9,11H2/t14-,15-/m1/s1
InChIKeyCGCMVDDNOIKFOP-HUUCEWRRSA-N
MW302.38 g/mol
LogP0.35
Rot. Bonds2

About 2-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]pyridine-3-carbonitrile

2-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 56877761) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID56877761
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name2-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CC[C@@H](N2CCC(O)CC2)[C@H](O)C1
InChIInChI=1S/C16H22N4O2/c17-10-12-2-1-6-18-16(12)20-9-5-14(15(22)11-20)19-7-3-13(21)4-8-19/h1-2,6,13-15,21-22H,3-5,7-9,11H2/t14-,15-/m1/s1
InChIKeyCGCMVDDNOIKFOP-HUUCEWRRSA-N
XLogP0.35
TPSA83.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]pyridine-3-carbonitrile (CID 56877761) is 2-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]pyridine-3-carbonitrile is N#Cc1cccnc1N1CC[C@@H](N2CCC(O)CC2)[C@H](O)C1.
What is the InChIKey of 2-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is CGCMVDDNOIKFOP-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H22N4O2/c17-10-12-2-1-6-18-16(12)20-9-5-14(15(22)11-20)19-7-3-13(21)4-8-19/h1-2,6,13-15,21-22H,3-5,7-9,11H2/t14-,15-/m1/s1.
What are the key properties of 2-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]pyridine-3-carbonitrile?
2-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 302.38 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 56877761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).