2-[4-(3-chloropyrazin-2-yl)oxypiperidin-1-yl]quinoline;piperidin-4-ol;1-[3-(1-quinolin-2-ylpiperidin-4-yl)oxypyrazin-2-yl]piperidin-4-ol

C46H55ClN10O4 — CID 161234552

IUPAC2-[4-(3-chloropyrazin-2-yl)oxypiperidin-1-yl]quinoline;piperidin-4-ol;1-[3-(1-quinolin-2-ylpiperidin-4-yl)oxypyrazin-2-yl]piperidin-4-ol
SMILESClc1nccnc1OC1CCN(c2ccc3ccccc3n2)CC1.OC1CCN(c2nccnc2OC2CCN(c3ccc4ccccc4n3)CC2)CC1.OC1CCNCC1
InChIInChI=1S/C23H27N5O2.C18H17ClN4O.C5H11NO/c29-18-7-13-28(14-8-18)22-23(25-12-11-24-22)30-19-9-15-27(16-10-19)21-6-5-17-3-1-2-4-20(17)26-21;19-17-18(21-10-9-20-17)24-14-7-11-23(12-8-14)16-6-5-13-3-1-2-4-15(13)22-16;7-5-1-3-6-4-2-5/h1-6,11-12,18-19,29H,7-10,13-16H2;1-6,9-10,14H,7-8,11-12H2;5-7H,1-4H2
InChIKeyUZEVAIJJDPTTHR-UHFFFAOYSA-N
MW847.47 g/mol
LogP6.49
Rot. Bonds7

About 2-[4-(3-chloropyrazin-2-yl)oxypiperidin-1-yl]quinoline;piperidin-4-ol;1-[3-(1-quinolin-2-ylpiperidin-4-yl)oxypyrazin-2-yl]piperidin-4-ol

2-[4-(3-chloropyrazin-2-yl)oxypiperidin-1-yl]quinoline;piperidin-4-ol;1-[3-(1-quinolin-2-ylpiperidin-4-yl)oxypyrazin-2-yl]piperidin-4-ol (PubChem CID 161234552) has the molecular formula C46H55ClN10O4 and a molecular weight of 847.47 g/mol. Its IUPAC name is 2-[4-(3-chloropyrazin-2-yl)oxypiperidin-1-yl]quinoline;piperidin-4-ol;1-[3-(1-quinolin-2-ylpiperidin-4-yl)oxypyrazin-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name2-[4-(3-chloropyrazin-2-yl)oxypiperidin-1-yl]quinoline;piperidin-4-ol;1-[3-(1-quinolin-2-ylpiperidin-4-yl)oxypyrazin-2-yl]piperidin-4-ol
PubChem CID161234552
Molecular FormulaC46H55ClN10O4
Molecular Weight847.47 g/mol
Exact Mass846.41
IUPAC Name2-[4-(3-chloropyrazin-2-yl)oxypiperidin-1-yl]quinoline;piperidin-4-ol;1-[3-(1-quinolin-2-ylpiperidin-4-yl)oxypyrazin-2-yl]piperidin-4-ol
SMILESClc1nccnc1OC1CCN(c2ccc3ccccc3n2)CC1.OC1CCN(c2nccnc2OC2CCN(c3ccc4ccccc4n3)CC2)CC1.OC1CCNCC1
InChIInChI=1S/C23H27N5O2.C18H17ClN4O.C5H11NO/c29-18-7-13-28(14-8-18)22-23(25-12-11-24-22)30-19-9-15-27(16-10-19)21-6-5-17-3-1-2-4-20(17)26-21;19-17-18(21-10-9-20-17)24-14-7-11-23(12-8-14)16-6-5-13-3-1-2-4-15(13)22-16;7-5-1-3-6-4-2-5/h1-6,11-12,18-19,29H,7-10,13-16H2;1-6,9-10,14H,7-8,11-12H2;5-7H,1-4H2
InChIKeyUZEVAIJJDPTTHR-UHFFFAOYSA-N
XLogP6.49
TPSA158.01 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500847.47
LogP ≤ 56.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chloropyrazin-2-yl)oxypiperidin-1-yl]quinoline;piperidin-4-ol;1-[3-(1-quinolin-2-ylpiperidin-4-yl)oxypyrazin-2-yl]piperidin-4-ol?
The IUPAC name of 2-[4-(3-chloropyrazin-2-yl)oxypiperidin-1-yl]quinoline;piperidin-4-ol;1-[3-(1-quinolin-2-ylpiperidin-4-yl)oxypyrazin-2-yl]piperidin-4-ol (CID 161234552) is 2-[4-(3-chloropyrazin-2-yl)oxypiperidin-1-yl]quinoline;piperidin-4-ol;1-[3-(1-quinolin-2-ylpiperidin-4-yl)oxypyrazin-2-yl]piperidin-4-ol.
What is the SMILES notation for 2-[4-(3-chloropyrazin-2-yl)oxypiperidin-1-yl]quinoline;piperidin-4-ol;1-[3-(1-quinolin-2-ylpiperidin-4-yl)oxypyrazin-2-yl]piperidin-4-ol?
The canonical SMILES for 2-[4-(3-chloropyrazin-2-yl)oxypiperidin-1-yl]quinoline;piperidin-4-ol;1-[3-(1-quinolin-2-ylpiperidin-4-yl)oxypyrazin-2-yl]piperidin-4-ol is Clc1nccnc1OC1CCN(c2ccc3ccccc3n2)CC1.OC1CCN(c2nccnc2OC2CCN(c3ccc4ccccc4n3)CC2)CC1.OC1CCNCC1.
What is the InChIKey of 2-[4-(3-chloropyrazin-2-yl)oxypiperidin-1-yl]quinoline;piperidin-4-ol;1-[3-(1-quinolin-2-ylpiperidin-4-yl)oxypyrazin-2-yl]piperidin-4-ol?
The InChIKey is UZEVAIJJDPTTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2.C18H17ClN4O.C5H11NO/c29-18-7-13-28(14-8-18)22-23(25-12-11-24-22)30-19-9-15-27(16-10-19)21-6-5-17-3-1-2-4-20(17)26-21;19-17-18(21-10-9-20-17)24-14-7-11-23(12-8-14)16-6-5-13-3-1-2-4-15(13)22-16;7-5-1-3-6-4-2-5/h1-6,11-12,18-19,29H,7-10,13-16H2;1-6,9-10,14H,7-8,11-12H2;5-7H,1-4H2.
What are the key properties of 2-[4-(3-chloropyrazin-2-yl)oxypiperidin-1-yl]quinoline;piperidin-4-ol;1-[3-(1-quinolin-2-ylpiperidin-4-yl)oxypyrazin-2-yl]piperidin-4-ol?
2-[4-(3-chloropyrazin-2-yl)oxypiperidin-1-yl]quinoline;piperidin-4-ol;1-[3-(1-quinolin-2-ylpiperidin-4-yl)oxypyrazin-2-yl]piperidin-4-ol has a molecular weight of 847.47 g/mol, XLogP of 6.49, 7 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chloropyrazin-2-yl)oxypiperidin-1-yl]quinoline;piperidin-4-ol;1-[3-(1-quinolin-2-ylpiperidin-4-yl)oxypyrazin-2-yl]piperidin-4-ol is sourced from PubChem (CID 161234552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).