6-[4-[(R)-hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]pyridine-3-carbonitrile

C15H17N5O — CID 124883228

IUPAC6-[4-[(R)-hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC([C@@H](O)c3ncc[nH]3)CC2)nc1
InChIInChI=1S/C15H17N5O/c16-9-11-1-2-13(19-10-11)20-7-3-12(4-8-20)14(21)15-17-5-6-18-15/h1-2,5-6,10,12,14,21H,3-4,7-8H2,(H,17,18)/t14-/m1/s1
InChIKeyDDWVJONQOALRCQ-CQSZACIVSA-N
MW283.34 g/mol
LogP1.63
Rot. Bonds3

About 6-[4-[(R)-hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]pyridine-3-carbonitrile

6-[4-[(R)-hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 124883228) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 6-[4-[(R)-hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[(R)-hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID124883228
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name6-[4-[(R)-hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC([C@@H](O)c3ncc[nH]3)CC2)nc1
InChIInChI=1S/C15H17N5O/c16-9-11-1-2-13(19-10-11)20-7-3-12(4-8-20)14(21)15-17-5-6-18-15/h1-2,5-6,10,12,14,21H,3-4,7-8H2,(H,17,18)/t14-/m1/s1
InChIKeyDDWVJONQOALRCQ-CQSZACIVSA-N
XLogP1.63
TPSA88.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(R)-hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-[(R)-hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]pyridine-3-carbonitrile (CID 124883228) is 6-[4-[(R)-hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[(R)-hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[(R)-hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2CCC([C@@H](O)c3ncc[nH]3)CC2)nc1.
What is the InChIKey of 6-[4-[(R)-hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is DDWVJONQOALRCQ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H17N5O/c16-9-11-1-2-13(19-10-11)20-7-3-12(4-8-20)14(21)15-17-5-6-18-15/h1-2,5-6,10,12,14,21H,3-4,7-8H2,(H,17,18)/t14-/m1/s1.
What are the key properties of 6-[4-[(R)-hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]pyridine-3-carbonitrile?
6-[4-[(R)-hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 283.34 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(R)-hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 124883228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).