6-[4-[[(3R)-oxan-3-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile

C16H22N4O — CID 124752860

IUPAC6-[4-[[(3R)-oxan-3-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCN(C[C@H]3CCCOC3)CC2)nc1
InChIInChI=1S/C16H22N4O/c17-10-14-3-4-16(18-11-14)20-7-5-19(6-8-20)12-15-2-1-9-21-13-15/h3-4,11,15H,1-2,5-9,12-13H2/t15-/m1/s1
InChIKeyKNCFFDSRSBJCPV-OAHLLOKOSA-N
MW286.38 g/mol
LogP1.50
Rot. Bonds3

About 6-[4-[[(3R)-oxan-3-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile

6-[4-[[(3R)-oxan-3-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 124752860) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 6-[4-[[(3R)-oxan-3-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[[(3R)-oxan-3-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID124752860
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name6-[4-[[(3R)-oxan-3-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCN(C[C@H]3CCCOC3)CC2)nc1
InChIInChI=1S/C16H22N4O/c17-10-14-3-4-16(18-11-14)20-7-5-19(6-8-20)12-15-2-1-9-21-13-15/h3-4,11,15H,1-2,5-9,12-13H2/t15-/m1/s1
InChIKeyKNCFFDSRSBJCPV-OAHLLOKOSA-N
XLogP1.50
TPSA52.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 95624717
6-[4-(oxolan-3-yl)-1,4-diazepan-1-yl]pyridine-3-carbonitrile
CID 166602960
6-[4-[3-(oxolan-2-yl)propanoyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 56817689
4-(5-cyano-2-pyridinyl)-N-(cyclopentylmethyl)piperazine-1-carboxamide
CID 47069365
6-[4-[2-amino-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carbonitrile
CID 126428881
6-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 134051143
6-(4-methylazepan-1-yl)pyridine-3-carbonitrile
CID 62045126
1-(oxan-3-ylmethyl)pyrrolidine
CID 91805344
6-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 35919863
6-(3-morpholin-4-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 172899261
6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 43430337
6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 58431342

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[(3R)-oxan-3-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-[[(3R)-oxan-3-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile (CID 124752860) is 6-[4-[[(3R)-oxan-3-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[[(3R)-oxan-3-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[[(3R)-oxan-3-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2CCN(C[C@H]3CCCOC3)CC2)nc1.
What is the InChIKey of 6-[4-[[(3R)-oxan-3-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is KNCFFDSRSBJCPV-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H22N4O/c17-10-14-3-4-16(18-11-14)20-7-5-19(6-8-20)12-15-2-1-9-21-13-15/h3-4,11,15H,1-2,5-9,12-13H2/t15-/m1/s1.
What are the key properties of 6-[4-[[(3R)-oxan-3-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile?
6-[4-[[(3R)-oxan-3-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 286.38 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[(3R)-oxan-3-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 124752860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).