[1-[3-(1-quinolin-2-ylpiperidin-4-yl)oxypyrazin-2-yl]piperidin-4-yl]methanol

C24H29N5O2 — CID 58547863

IUPAC[1-[3-(1-quinolin-2-ylpiperidin-4-yl)oxypyrazin-2-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2nccnc2OC2CCN(c3ccc4ccccc4n3)CC2)CC1
InChIInChI=1S/C24H29N5O2/c30-17-18-7-13-29(14-8-18)23-24(26-12-11-25-23)31-20-9-15-28(16-10-20)22-6-5-19-3-1-2-4-21(19)27-22/h1-6,11-12,18,20,30H,7-10,13-17H2
InChIKeyXGFSWMYPPVFYKP-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.28
Rot. Bonds5

About [1-[3-(1-quinolin-2-ylpiperidin-4-yl)oxypyrazin-2-yl]piperidin-4-yl]methanol

[1-[3-(1-quinolin-2-ylpiperidin-4-yl)oxypyrazin-2-yl]piperidin-4-yl]methanol (PubChem CID 58547863) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is [1-[3-(1-quinolin-2-ylpiperidin-4-yl)oxypyrazin-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[3-(1-quinolin-2-ylpiperidin-4-yl)oxypyrazin-2-yl]piperidin-4-yl]methanol
PubChem CID58547863
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name[1-[3-(1-quinolin-2-ylpiperidin-4-yl)oxypyrazin-2-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2nccnc2OC2CCN(c3ccc4ccccc4n3)CC2)CC1
InChIInChI=1S/C24H29N5O2/c30-17-18-7-13-29(14-8-18)23-24(26-12-11-25-23)31-20-9-15-28(16-10-20)22-6-5-19-3-1-2-4-21(19)27-22/h1-6,11-12,18,20,30H,7-10,13-17H2
InChIKeyXGFSWMYPPVFYKP-UHFFFAOYSA-N
XLogP3.28
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[1-(3-{[1-(Quinolin-2-Yl)azetidin-3-Yl]oxy}pyrazin-2-Yl)piperidin-4-Yl]methanol
CID 58547833
[1-[6-(1-Quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-yl]methanol
CID 58547807
1-[4-[3-(1-Quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-1-yl]ethanone
CID 54670110
1-[3-(1-Quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidine-4-carbonitrile
CID 54670394
2-[3-(3-Pyridin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline
CID 54670488
2-[3-[3-(2-Methyl-4-pyridinyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline
CID 54670489
2-[3-[3-(1-Methylsulfonylpiperidin-4-yl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline
CID 54671050
1-[3-(1-Quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidine-4-carboxamide
CID 58547692
2-[3-(3-Pyridin-4-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline
CID 58547740
[1-[3-(1-Quinazolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-yl]methanol
CID 58547742
4-[3-(1-Quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]morpholine
CID 58547786
2-[3-[3-[4-(Methoxymethyl)piperidin-1-yl]pyrazin-2-yl]oxyazetidin-1-yl]quinoline
CID 58547789

Frequently Asked Questions

What is the IUPAC name of [1-[3-(1-quinolin-2-ylpiperidin-4-yl)oxypyrazin-2-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[3-(1-quinolin-2-ylpiperidin-4-yl)oxypyrazin-2-yl]piperidin-4-yl]methanol (CID 58547863) is [1-[3-(1-quinolin-2-ylpiperidin-4-yl)oxypyrazin-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[3-(1-quinolin-2-ylpiperidin-4-yl)oxypyrazin-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[3-(1-quinolin-2-ylpiperidin-4-yl)oxypyrazin-2-yl]piperidin-4-yl]methanol is OCC1CCN(c2nccnc2OC2CCN(c3ccc4ccccc4n3)CC2)CC1.
What is the InChIKey of [1-[3-(1-quinolin-2-ylpiperidin-4-yl)oxypyrazin-2-yl]piperidin-4-yl]methanol?
The InChIKey is XGFSWMYPPVFYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c30-17-18-7-13-29(14-8-18)23-24(26-12-11-25-23)31-20-9-15-28(16-10-20)22-6-5-19-3-1-2-4-21(19)27-22/h1-6,11-12,18,20,30H,7-10,13-17H2.
What are the key properties of [1-[3-(1-quinolin-2-ylpiperidin-4-yl)oxypyrazin-2-yl]piperidin-4-yl]methanol?
[1-[3-(1-quinolin-2-ylpiperidin-4-yl)oxypyrazin-2-yl]piperidin-4-yl]methanol has a molecular weight of 419.53 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(1-quinolin-2-ylpiperidin-4-yl)oxypyrazin-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 58547863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).